3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H10N2O6S3 — CID 2809622

IUPAC3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O6S3/c12-21(16,17)8-3-1-7(2-4-8)13-22(18,19)9-5-6-20-10(9)11(14)15/h1-6,13H,(H,14,15)(H2,12,16,17)
InChIKeyGRNNEUJWSGMBGL-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.89
Rot. Bonds5

About 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 2809622) has the molecular formula C11H10N2O6S3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID2809622
Molecular FormulaC11H10N2O6S3
Molecular Weight362.41 g/mol
Exact Mass361.97
IUPAC Name3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O6S3/c12-21(16,17)8-3-1-7(2-4-8)13-22(18,19)9-5-6-20-10(9)11(14)15/h1-6,13H,(H,14,15)(H2,12,16,17)
InChIKeyGRNNEUJWSGMBGL-UHFFFAOYSA-N
XLogP0.89
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 2809622) is 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GRNNEUJWSGMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6S3/c12-21(16,17)8-3-1-7(2-4-8)13-22(18,19)9-5-6-20-10(9)11(14)15/h1-6,13H,(H,14,15)(H2,12,16,17).
What are the key properties of 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 2809622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).