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

C12H8N2O4S2 — CID 43442992

IUPAC3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H8N2O4S2/c13-7-8-1-3-9(4-2-8)20(17,18)14-10-5-6-19-11(10)12(15)16/h1-6,14H,(H,15,16)
InChIKeyRNBFOCIBJGBGRL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.12
Rot. Bonds4

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

3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43442992) has the molecular formula C12H8N2O4S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43442992
Molecular FormulaC12H8N2O4S2
Molecular Weight308.34 g/mol
Exact Mass307.99
IUPAC Name3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H8N2O4S2/c13-7-8-1-3-9(4-2-8)20(17,18)14-10-5-6-19-11(10)12(15)16/h1-6,14H,(H,15,16)
InChIKeyRNBFOCIBJGBGRL-UHFFFAOYSA-N
XLogP2.12
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyanophenyl)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-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 106996494
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid
CID 43443051
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
3-[(4-cyanophenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 51135610
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61063606
3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
CID 102690657

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 43442992) is 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid is N#Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is RNBFOCIBJGBGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4S2/c13-7-8-1-3-9(4-2-8)20(17,18)14-10-5-6-19-11(10)12(15)16/h1-6,14H,(H,15,16).
What are the key properties of 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43442992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).