1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole

C16H13ClN2O2S — CID 43813838

IUPAC1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1c(C2CC2)nc2ccccc21
InChIInChI=1S/C16H13ClN2O2S/c17-12-7-9-13(10-8-12)22(20,21)19-15-4-2-1-3-14(15)18-16(19)11-5-6-11/h1-4,7-11H,5-6H2
InChIKeyBQKDWFRRTRNYGE-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.80
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole

1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole (PubChem CID 43813838) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole
PubChem CID43813838
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1c(C2CC2)nc2ccccc21
InChIInChI=1S/C16H13ClN2O2S/c17-12-7-9-13(10-8-12)22(20,21)19-15-4-2-1-3-14(15)18-16(19)11-5-6-11/h1-4,7-11H,5-6H2
InChIKeyBQKDWFRRTRNYGE-UHFFFAOYSA-N
XLogP3.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole
CID 75536049
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
CID 43813836
1-(4-chlorophenyl)sulfonylbenzimidazole
CID 746713
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-(4-methoxy-1-methyl-2H-pyridin-2-yl)-1-(4-methylphenyl)sulfonylbenzimidazole
CID 170984674
6-[bis(4-chlorophenyl)methyl]-2-cyclopropyl-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 126616429
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 112781109
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
1-(4-chlorophenyl)sulfonylindole
CID 4689237
2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118095441
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40939662

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole (CID 43813838) is 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole is O=S(=O)(c1ccc(Cl)cc1)n1c(C2CC2)nc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole?
The InChIKey is BQKDWFRRTRNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-12-7-9-13(10-8-12)22(20,21)19-15-4-2-1-3-14(15)18-16(19)11-5-6-11/h1-4,7-11H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole?
1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole has a molecular weight of 332.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole is sourced from PubChem (CID 43813838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).