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

C7H6BrN3O3S — CID 63840460

IUPAC6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C7H6BrN3O3S/c8-3-1-4-5(11-7(12)10-4)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14)(H2,10,11,12)
InChIKeyZNTJCNGZULKOOY-UHFFFAOYSA-N
MW292.11 g/mol
LogP0.27
Rot. Bonds1

About 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 63840460) has the molecular formula C7H6BrN3O3S and a molecular weight of 292.11 g/mol. Its IUPAC name is 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID63840460
Molecular FormulaC7H6BrN3O3S
Molecular Weight292.11 g/mol
Exact Mass290.93
IUPAC Name6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C7H6BrN3O3S/c8-3-1-4-5(11-7(12)10-4)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14)(H2,10,11,12)
InChIKeyZNTJCNGZULKOOY-UHFFFAOYSA-N
XLogP0.27
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 63840460) is 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is ZNTJCNGZULKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3S/c8-3-1-4-5(11-7(12)10-4)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14)(H2,10,11,12).
What are the key properties of 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 292.11 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 63840460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).