1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one

C15H11ClN2O4S — CID 4667921

IUPAC1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one
SMILESCC(=O)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClN2O4S/c1-10(19)17-13-4-2-3-5-14(13)18(15(17)20)23(21,22)12-8-6-11(16)7-9-12/h2-9H,1H3
InChIKeyKZNUWTNBKOUVPN-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.35
Rot. Bonds2

About 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one

1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one (PubChem CID 4667921) has the molecular formula C15H11ClN2O4S and a molecular weight of 350.78 g/mol. Its IUPAC name is 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one
PubChem CID4667921
Molecular FormulaC15H11ClN2O4S
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one
SMILESCC(=O)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClN2O4S/c1-10(19)17-13-4-2-3-5-14(13)18(15(17)20)23(21,22)12-8-6-11(16)7-9-12/h2-9H,1H3
InChIKeyKZNUWTNBKOUVPN-UHFFFAOYSA-N
XLogP2.35
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
CID 7226489
N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide
CID 3687458
N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide
CID 18971539
1-(4-chlorophenyl)sulfonylbenzimidazole
CID 746713
1-(4-chlorophenyl)sulfonylindole
CID 4689237
2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 66755284
1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one
CID 3687459
1-(4-chlorophenyl)sulfonylethanone
CID 117037069
N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-pyridinyl]acetamide
CID 22442378
1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole
CID 43813838
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
CID 42792947
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one?
The IUPAC name of 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one (CID 4667921) is 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one?
The canonical SMILES for 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one is CC(=O)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one?
The InChIKey is KZNUWTNBKOUVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S/c1-10(19)17-13-4-2-3-5-14(13)18(15(17)20)23(21,22)12-8-6-11(16)7-9-12/h2-9H,1H3.
What are the key properties of 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one?
1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one has a molecular weight of 350.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one is sourced from PubChem (CID 4667921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).