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

C12H9NO6S2 — CID 11244305

IUPAC3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H9NO6S2/c14-11(15)7-1-3-8(4-2-7)13-21(18,19)9-5-6-20-10(9)12(16)17/h1-6,13H,(H,14,15)(H,16,17)
InChIKeyAJGAVOHQBALZRE-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.95
Rot. Bonds5

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

3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 11244305) has the molecular formula C12H9NO6S2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID11244305
Molecular FormulaC12H9NO6S2
Molecular Weight327.34 g/mol
Exact Mass326.99
IUPAC Name3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H9NO6S2/c14-11(15)7-1-3-8(4-2-7)13-21(18,19)9-5-6-20-10(9)12(16)17/h1-6,13H,(H,14,15)(H,16,17)
InChIKeyAJGAVOHQBALZRE-UHFFFAOYSA-N
XLogP1.95
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 11244305) is 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AJGAVOHQBALZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6S2/c14-11(15)7-1-3-8(4-2-7)13-21(18,19)9-5-6-20-10(9)12(16)17/h1-6,13H,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 11244305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).