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89113-20-2 | 4-ACETAMIDO-N-(4-(ETHOXYCARBONYL)PHENYL)BENZENESULFONAMIDE
CAS No: 89113-20-2 Catalog No: AG0086U1 MDL No:
Product Description
Catalog Number:
AG0086U1
Chemical Name:
4-ACETAMIDO-N-(4-(ETHOXYCARBONYL)PHENYL)BENZENESULFONAMIDE
CAS Number:
89113-20-2
Molecular Formula:
C17H18N2O5S
Molecular Weight:
362.4002
IUPAC Name:
ethyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-4-6-15(7-5-13)19-25(22,23)16-10-8-14(9-11-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20)
InChI Key:
IIBCOYGTPYCACM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)C
NSC Number:
205491
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.4g/mol
Monoisotopic Mass:
362.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship studies of a series of sulfa drugs as inhibitors of Pneumocystis carinii dihydropteroate synthetase. | Antimicrobial agents and chemotherapy 19980601 |
| Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. | Antimicrobial agents and chemotherapy 19950801 |
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