2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid

C11H13N3O5S — CID 43405402

IUPAC2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-2-7(10(15)16)14-20(18,19)6-3-4-8-9(5-6)13-11(17)12-8/h3-5,7,14H,2H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyBWVPJFVGMPEKHG-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.00
Rot. Bonds5

About 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid (PubChem CID 43405402) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
PubChem CID43405402
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-2-7(10(15)16)14-20(18,19)6-3-4-8-9(5-6)13-11(17)12-8/h3-5,7,14H,2H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyBWVPJFVGMPEKHG-UHFFFAOYSA-N
XLogP-0.00
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic 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

(2S)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylpentanoic acid
CID 2206886
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
CID 3110544
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3157171
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110626063
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
3-(4-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoic acid
CID 45439311
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 82155470

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid (CID 43405402) is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid?
The InChIKey is BWVPJFVGMPEKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-2-7(10(15)16)14-20(18,19)6-3-4-8-9(5-6)13-11(17)12-8/h3-5,7,14H,2H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid?
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid has a molecular weight of 299.31 g/mol, XLogP of -0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43405402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).