3-(1H-imidazol-5-ylsulfonylamino)benzoic acid

C10H9N3O4S — CID 3640623

IUPAC3-(1H-imidazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C10H9N3O4S/c14-10(15)7-2-1-3-8(4-7)13-18(16,17)9-5-11-6-12-9/h1-6,13H,(H,11,12)(H,14,15)
InChIKeyGSQKMTIARWVONA-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.91
Rot. Bonds4

About 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid

3-(1H-imidazol-5-ylsulfonylamino)benzoic acid (PubChem CID 3640623) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylsulfonylamino)benzoic acid
PubChem CID3640623
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name3-(1H-imidazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C10H9N3O4S/c14-10(15)7-2-1-3-8(4-7)13-18(16,17)9-5-11-6-12-9/h1-6,13H,(H,11,12)(H,14,15)
InChIKeyGSQKMTIARWVONA-UHFFFAOYSA-N
XLogP0.91
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1H-imidazol-5-ylsulfonylamino)benzoic 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 3-[(1H-imidazol-4-ylsulfonyl)amino]benzoate
CID 3236652
ethyl 3-{[N-(1H-imidazol-4-ylsulfonyl)-N-methylglycyl]amino}benzoate
CID 3244958
ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate
CID 5307765
Ethyl 3-[1-(1H-imidazole-4-sulfonyl)piperidine-4-amido]benzoate
CID 5309104
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzoic acid
CID 44304768
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzoic acid
CID 44304969
3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzoic acid
CID 44304977
ethyl 4-[(1H-imidazol-4-ylsulfonyl)amino]benzoate
CID 3237526
4-Bromo-3-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 104935792
Ethyl 3-(1,2-dimethyl-1H-imidazole-4-sulfonamido)benzoate
CID 16029187
3-[3-(2-amino-1H-imidazol-5-yl)propylsulfamoyl]benzoic acid;hydrochloride
CID 44220060
Methyl 2,4-difluoro-5-[(1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 56800710

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid (CID 3640623) is 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid?
The InChIKey is GSQKMTIARWVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-10(15)7-2-1-3-8(4-7)13-18(16,17)9-5-11-6-12-9/h1-6,13H,(H,11,12)(H,14,15).
What are the key properties of 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid?
3-(1H-imidazol-5-ylsulfonylamino)benzoic acid has a molecular weight of 267.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 3640623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).