3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

C13H10N2O4S2 — CID 106996494

IUPAC3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10N2O4S2/c1-8-6-9(7-14)2-3-11(8)21(18,19)15-10-4-5-20-12(10)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKeyZFBOQABJEOORQY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.43
Rot. Bonds4

About 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 106996494) has the molecular formula C13H10N2O4S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID106996494
Molecular FormulaC13H10N2O4S2
Molecular Weight322.37 g/mol
Exact Mass322.01
IUPAC Name3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10N2O4S2/c1-8-6-9(7-14)2-3-11(8)21(18,19)15-10-4-5-20-12(10)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKeyZFBOQABJEOORQY-UHFFFAOYSA-N
XLogP2.43
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic 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

3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43442992
2-[(4-cyano-2-methylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 71874462
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid
CID 43443051
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 106996494) is 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is ZFBOQABJEOORQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S2/c1-8-6-9(7-14)2-3-11(8)21(18,19)15-10-4-5-20-12(10)13(16)17/h2-6,15H,1H3,(H,16,17).
What are the key properties of 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 106996494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).