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

C10H10N3O5S- — CID 2207002

IUPAC3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
SMILESO=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O5S/c14-9(15)3-4-11-19(17,18)6-1-2-7-8(5-6)13-10(16)12-7/h1-2,5,11H,3-4H2,(H,14,15)(H2,12,13,16)/p-1
InChIKeyVMRRPDNLYZWYLO-UHFFFAOYSA-M
MW284.27 g/mol
LogP-1.73
Rot. Bonds5

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

3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate (PubChem CID 2207002) has the molecular formula C10H10N3O5S- and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
PubChem CID2207002
Molecular FormulaC10H10N3O5S-
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
SMILESO=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O5S/c14-9(15)3-4-11-19(17,18)6-1-2-7-8(5-6)13-10(16)12-7/h1-2,5,11H,3-4H2,(H,14,15)(H2,12,13,16)/p-1
InChIKeyVMRRPDNLYZWYLO-UHFFFAOYSA-M
XLogP-1.73
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butyl]acetamide
CID 110417592
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
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[2-(4-nitrophenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110632855
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetic acid
CID 2064173
benzyl 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoate
CID 154361009
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate?
The IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate (CID 2207002) is 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate?
The canonical SMILES for 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate is O=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate?
The InChIKey is VMRRPDNLYZWYLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N3O5S/c14-9(15)3-4-11-19(17,18)6-1-2-7-8(5-6)13-10(16)12-7/h1-2,5,11H,3-4H2,(H,14,15)(H2,12,13,16)/p-1.
What are the key properties of 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate?
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate has a molecular weight of 284.27 g/mol, XLogP of -1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate is sourced from PubChem (CID 2207002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).