2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C7H7N3O3S — CID 719684

IUPAC2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C7H7N3O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,8,12,13)(H2,9,10,11)
InChIKeyYHLDMCWKIATRTK-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.50
Rot. Bonds1

About 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 719684) has the molecular formula C7H7N3O3S and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID719684
Molecular FormulaC7H7N3O3S
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC Name2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C7H7N3O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,8,12,13)(H2,9,10,11)
InChIKeyYHLDMCWKIATRTK-UHFFFAOYSA-N
XLogP-0.50
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 719684) is 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is YHLDMCWKIATRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,8,12,13)(H2,9,10,11).
What are the key properties of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 213.22 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 719684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).