2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride

C7H5ClN2O3S — CID 3159944

IUPAC2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
SMILESO=c1[nH]c2ccc(S(=O)(=O)Cl)cc2[nH]1
InChIInChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyOFWLWHNQAUHHGZ-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.78
Rot. Bonds1

About 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride

2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride (PubChem CID 3159944) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
PubChem CID3159944
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
SMILESO=c1[nH]c2ccc(S(=O)(=O)Cl)cc2[nH]1
InChIInChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyOFWLWHNQAUHHGZ-UHFFFAOYSA-N
XLogP0.78
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mls003106479
CID 3370705
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt (1:1)
CID 3745949
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 719684
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CID 2055845
N-(4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}phenyl)acetamide
CID 2956331
2-oxo-N-(p-tolyl)-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonamide
CID 7454312
N-(4-fluorophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 701109
N-(4-ethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 889455
5-(Pyrrolidine-1-sulfonyl)-1,3-dihydro-benzoimidazol-2-one
CID 893000
5-(4-Methylpiperidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 2956749

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride?
The IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride (CID 3159944) is 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride?
The canonical SMILES for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride is O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2[nH]1.
What is the InChIKey of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride?
The InChIKey is OFWLWHNQAUHHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11).
What are the key properties of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride?
2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride has a molecular weight of 232.65 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 3159944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).