3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid

C14H11N3O4S — CID 68982273

IUPAC3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
SMILESCc1c(C#N)ccc(NS(=O)(=O)c2ccccn2)c1C(=O)O
InChIInChI=1S/C14H11N3O4S/c1-9-10(8-15)5-6-11(13(9)14(18)19)17-22(20,21)12-4-2-3-7-16-12/h2-7,17H,1H3,(H,18,19)
InChIKeyLCLWCVUVDXLESL-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.76
Rot. Bonds4

About 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid

3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid (PubChem CID 68982273) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
PubChem CID68982273
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
SMILESCc1c(C#N)ccc(NS(=O)(=O)c2ccccn2)c1C(=O)O
InChIInChI=1S/C14H11N3O4S/c1-9-10(8-15)5-6-11(13(9)14(18)19)17-22(20,21)12-4-2-3-7-16-12/h2-7,17H,1H3,(H,18,19)
InChIKeyLCLWCVUVDXLESL-UHFFFAOYSA-N
XLogP1.76
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
6-[(4-tert-butylphenyl)sulfonylamino]-3-cyano-N-formyl-2-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 137447562
N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide
CID 166442519
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
3-cyano-6-ethyl-2-methylbenzoic acid
CID 130951339
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
4-phenyl-8-(pyridin-2-ylsulfonylamino)quinazoline-2-carboxylic acid
CID 170902957
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874149
N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303910
N-[5-[2-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 148557911

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid (CID 68982273) is 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid is Cc1c(C#N)ccc(NS(=O)(=O)c2ccccn2)c1C(=O)O.
What is the InChIKey of 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
The InChIKey is LCLWCVUVDXLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c1-9-10(8-15)5-6-11(13(9)14(18)19)17-22(20,21)12-4-2-3-7-16-12/h2-7,17H,1H3,(H,18,19).
What are the key properties of 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid has a molecular weight of 317.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 68982273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).