4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate

C11H12N3O5S- — CID 7263204

IUPAC4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
SMILESO=C([O-])CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O5S/c15-10(16)2-1-5-12-20(18,19)7-3-4-8-9(6-7)14-11(17)13-8/h3-4,6,12H,1-2,5H2,(H,15,16)(H2,13,14,17)/p-1
InChIKeyFXKCSJQLAMJHHZ-UHFFFAOYSA-M
MW298.30 g/mol
LogP-1.34
Rot. Bonds6

About 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate (PubChem CID 7263204) has the molecular formula C11H12N3O5S- and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
PubChem CID7263204
Molecular FormulaC11H12N3O5S-
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
SMILESO=C([O-])CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O5S/c15-10(16)2-1-5-12-20(18,19)7-3-4-8-9(6-7)14-11(17)13-8/h3-4,6,12H,1-2,5H2,(H,15,16)(H2,13,14,17)/p-1
InChIKeyFXKCSJQLAMJHHZ-UHFFFAOYSA-M
XLogP-1.34
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butyl]acetamide
CID 110417592
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110398472
4-(3-carboxylatopropylsulfamoyl)benzoate
CID 2141978
N-[2-(4-nitrophenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110632855
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate?
The IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate (CID 7263204) is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate?
The canonical SMILES for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate is O=C([O-])CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate?
The InChIKey is FXKCSJQLAMJHHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13N3O5S/c15-10(16)2-1-5-12-20(18,19)7-3-4-8-9(6-7)14-11(17)13-8/h3-4,6,12H,1-2,5H2,(H,15,16)(H2,13,14,17)/p-1.
What are the key properties of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate?
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate has a molecular weight of 298.30 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate is sourced from PubChem (CID 7263204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).