2-sulfamoyl-1H-benzimidazole-4-carboxylic acid

C8H7N3O4S — CID 18355034

IUPAC2-sulfamoyl-1H-benzimidazole-4-carboxylic acid
SMILESNS(=O)(=O)c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C8H7N3O4S/c9-16(14,15)8-10-5-3-1-2-4(7(12)13)6(5)11-8/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15)
InChIKeyMQMJJHCUZGLFFP-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.09
Rot. Bonds2

About 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid

2-sulfamoyl-1H-benzimidazole-4-carboxylic acid (PubChem CID 18355034) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-sulfamoyl-1H-benzimidazole-4-carboxylic acid
PubChem CID18355034
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC Name2-sulfamoyl-1H-benzimidazole-4-carboxylic acid
SMILESNS(=O)(=O)c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C8H7N3O4S/c9-16(14,15)8-10-5-3-1-2-4(7(12)13)6(5)11-8/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15)
InChIKeyMQMJJHCUZGLFFP-UHFFFAOYSA-N
XLogP-0.09
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-sulfamoyl-1H-benzimidazole-4-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

ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
CID 18354850
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
2-tert-butyl-1H-benzimidazole-4-carboxylic acid
CID 58856136
2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 58932987
2-(1H-pyrrol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 66984814
2-tert-butyl-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 66811072
1H-imidazo[4,5-b]pyridine-2-sulfonamide
CID 66709927
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103310108
2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 107519628
2-(2-methylbutan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63017647
2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 63032815

Frequently Asked Questions

What is the IUPAC name of 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid (CID 18355034) is 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid is NS(=O)(=O)c1nc2c(C(=O)O)cccc2[nH]1.
What is the InChIKey of 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is MQMJJHCUZGLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c9-16(14,15)8-10-5-3-1-2-4(7(12)13)6(5)11-8/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15).
What are the key properties of 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid?
2-sulfamoyl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 241.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoyl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 18355034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).