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127-71-9 | Benzamide, N-[(4-aminophenyl)sulfonyl]-
CAS No: 127-71-9 Catalog No: AG000WIM MDL No:MFCD00044890
Product Description
Catalog Number:
AG000WIM
Chemical Name:
Benzamide, N-[(4-aminophenyl)sulfonyl]-
CAS Number:
127-71-9
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
MDL Number:
MFCD00044890
IUPAC Name:
N-(4-aminophenyl)sulfonylbenzamide
InChI:
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChI Key:
PBCZLFBEBARBBI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
EC Number:
204-859-4
UNII:
G58F8OPL4I
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activity of some phthalimide derivatives. | Bioorganic & medicinal chemistry 20120701 |
| Sulfonamides identified as plant immune-priming compounds in high-throughput chemical screening increase disease resistance in Arabidopsis thaliana. | Frontiers in plant science 20120101 |
| Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). | PLoS computational biology 20111201 |
| Dodecylbenzene sulfonate-coated magnetite nanoparticles as a new adsorbent for solid phase extraction-spectrophotometric determination of ultra trace amounts of ammonium in water samples. | Analytica chimica acta 20111017 |
| Electron ionization mass spectra of alkylated sulfabenzamides. | Rapid communications in mass spectrometry : RCM 20110330 |
| Application of fully automated online solid phase extraction-liquid chromatography-electrospray-tandem mass spectrometry for the determination of sulfonamides and their acetylated metabolites in groundwater. | Analytical and bioanalytical chemistry 20110101 |
| A predictive ligand-based Bayesian model for human drug-induced liver injury. | Drug metabolism and disposition: the biological fate of chemicals 20101201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Analytical method for simultaneous determination of pesticide and veterinary drug residues in milk by CE-MS. | Electrophoresis 20090501 |
| A systematic study on hydrogen bond interactions in sulfabenzamide: DFT calculations of the N-14, O-17, and H-2 NQR parameters. | Biophysical chemistry 20090201 |
| Pressurized liquid extraction combined with capillary electrophoresis-mass spectrometry as an improved methodology for the determination of sulfonamide residues in meat. | Journal of chromatography. A 20070803 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Determination of pKa values by capillary zone electrophoresis with a dynamic coating procedure. | Journal of separation science 20051101 |
| Multiresidue determination of sulfonamides in a variety of biological matrices by supported liquid membrane with high pressure liquid chromatography-electrospray mass spectrometry detection. | Talanta 20040908 |
| Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. | Antimicrobial agents and chemotherapy 19950801 |
| Interaction of Pneumocystis carinii dihydropteroate synthase with sulfonamides and diaminodiphenyl sulfone (dapsone). | The Journal of infectious diseases 19940201 |
| Interaction of sulfonamide and sulfone compounds with Toxoplasma gondii dihydropteroate synthase. | The Journal of clinical investigation 19900201 |
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