4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H8N2O4S2 — CID 61063606

IUPAC4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)cc1
InChIInChI=1S/C12H8N2O4S2/c13-6-8-1-3-9(4-2-8)14-20(17,18)10-5-11(12(15)16)19-7-10/h1-5,7,14H,(H,15,16)
InChIKeyBUAFGWGATOETKN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.12
Rot. Bonds4

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

4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61063606) has the molecular formula C12H8N2O4S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61063606
Molecular FormulaC12H8N2O4S2
Molecular Weight308.34 g/mol
Exact Mass307.99
IUPAC Name4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)cc1
InChIInChI=1S/C12H8N2O4S2/c13-6-8-1-3-9(4-2-8)14-20(17,18)10-5-11(12(15)16)19-7-10/h1-5,7,14H,(H,15,16)
InChIKeyBUAFGWGATOETKN-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

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Related Compounds

4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503878
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715
4-[(4-acetylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503881
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43442992
4-[(2,6-dibromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63616649
4-[(4-methoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486042
4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 27243480
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61063606) is 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid is N#Cc1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is BUAFGWGATOETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4S2/c13-6-8-1-3-9(4-2-8)14-20(17,18)10-5-11(12(15)16)19-7-10/h1-5,7,14H,(H,15,16).
What are the key properties of 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(4-cyanophenyl)sulfamoyl]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 4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61063606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).