3-(methanesulfonamido)benzoic acid;2-methylpyridine

C14H16N2O4S — CID 174337285

IUPAC3-(methanesulfonamido)benzoic acid;2-methylpyridine
SMILESCS(=O)(=O)Nc1cccc(C(=O)O)c1.Cc1ccccn1
InChIInChI=1S/C8H9NO4S.C6H7N/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11;1-6-4-2-3-5-7-6/h2-5,9H,1H3,(H,10,11);2-5H,1H3
InChIKeyWUAFUWHSSYRLHU-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.15
Rot. Bonds3

About 3-(methanesulfonamido)benzoic acid;2-methylpyridine

3-(methanesulfonamido)benzoic acid;2-methylpyridine (PubChem CID 174337285) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(methanesulfonamido)benzoic acid;2-methylpyridine.

Molecular Properties

Compound Name3-(methanesulfonamido)benzoic acid;2-methylpyridine
PubChem CID174337285
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-(methanesulfonamido)benzoic acid;2-methylpyridine
SMILESCS(=O)(=O)Nc1cccc(C(=O)O)c1.Cc1ccccn1
InChIInChI=1S/C8H9NO4S.C6H7N/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11;1-6-4-2-3-5-7-6/h2-5,9H,1H3,(H,10,11);2-5H,1H3
InChIKeyWUAFUWHSSYRLHU-UHFFFAOYSA-N
XLogP2.15
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
3-[(methylsulfonimidoyl)amino]benzoic acid
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3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
N-[3-(methanesulfonamido)phenyl]-3-pyridin-2-yloxybenzamide
CID 72719348
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
3-(methylsulfonylmethylamino)benzoic acid
CID 68815004
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-[3-[(2E)-2-hydroxyiminoacetyl]phenyl]methanesulfonamide
CID 87742571

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)benzoic acid;2-methylpyridine?
The IUPAC name of 3-(methanesulfonamido)benzoic acid;2-methylpyridine (CID 174337285) is 3-(methanesulfonamido)benzoic acid;2-methylpyridine.
What is the SMILES notation for 3-(methanesulfonamido)benzoic acid;2-methylpyridine?
The canonical SMILES for 3-(methanesulfonamido)benzoic acid;2-methylpyridine is CS(=O)(=O)Nc1cccc(C(=O)O)c1.Cc1ccccn1.
What is the InChIKey of 3-(methanesulfonamido)benzoic acid;2-methylpyridine?
The InChIKey is WUAFUWHSSYRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S.C6H7N/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11;1-6-4-2-3-5-7-6/h2-5,9H,1H3,(H,10,11);2-5H,1H3.
What are the key properties of 3-(methanesulfonamido)benzoic acid;2-methylpyridine?
3-(methanesulfonamido)benzoic acid;2-methylpyridine has a molecular weight of 308.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)benzoic acid;2-methylpyridine is sourced from PubChem (CID 174337285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).