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162787-61-3 | 2-(Methylsulfonamido)benzoic acid
CAS No: 162787-61-3 Catalog No: AG003F32 MDL No:MFCD00590092
Product Description
Catalog Number:
AG003F32
Chemical Name:
2-(Methylsulfonamido)benzoic acid
CAS Number:
162787-61-3
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD00590092
IUPAC Name:
2-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:
VESLFCBOKMWCRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NS(=O)(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 2-methanesulfonamidobenzoic Acid. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Design and synthesis of small molecule glycerol 3-phosphate acyltransferase inhibitors. | Journal of medicinal chemistry 20090528 |
| 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 |
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