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

C7H5ClN2O3S — CID 71651743

IUPAC2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
SMILESO=C1N=C2C=CC(S(=O)(=O)Cl)C=C2N1
InChIInChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11)
InChIKeyDESUFUPUNIDWSS-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.54
Rot. Bonds1

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

2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride (PubChem CID 71651743) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
PubChem CID71651743
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
SMILESO=C1N=C2C=CC(S(=O)(=O)Cl)C=C2N1
InChIInChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11)
InChIKeyDESUFUPUNIDWSS-UHFFFAOYSA-N
XLogP0.54
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1,6-dihydrobenzimidazol-2-one
CID 71303656
6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
CID 74643944
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
CID 155295276
5-cyclopropyl-N-[(1S,5R)-8-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 154826503
6-[(1S,5R)-8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 169489633
5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
CID 71303716
3-chloro-N-[(4-fluorophenyl)methyl]-2-methyl-N-(2-oxo-3,5-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 169423122
6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 164607443
7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304027
6-chloro-2-cyclohexylimino-6H-quinazolin-4-one
CID 136995848
1H-thieno[3,4-d]imidazole-2,4-dione
CID 21292269
7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304011

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride?
The IUPAC name of 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride (CID 71651743) is 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride?
The canonical SMILES for 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride is O=C1N=C2C=CC(S(=O)(=O)Cl)C=C2N1.
What is the InChIKey of 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride?
The InChIKey is DESUFUPUNIDWSS-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/h1-4H,(H,10,11).
What are the key properties of 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride?
2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride has a molecular weight of 232.65 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 71651743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).