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

C14H11ClN2O2S — CID 763279

IUPAC1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKeyKJHLIVKYTPTQGP-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.24
Rot. Bonds2

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

1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole (PubChem CID 763279) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole
PubChem CID763279
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKeyKJHLIVKYTPTQGP-UHFFFAOYSA-N
XLogP3.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
5-chloro-2-methyl-1-phenyl-1H-benzimidazole
CID 97024
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
2-{2-[(4-chlorophenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 589050
1-[(4-chlorophenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 976018
Cambridge id 6957993
CID 1326313
Benzenesulfonamide, 4-[1-(4-chlorophenyl)-1H-benzimidazol-2-yl]-
CID 11625155
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
4-Chloro-N-[(1R)-1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177019
4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177212

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole (CID 763279) is 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole is Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole?
The InChIKey is KJHLIVKYTPTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole?
1-(4-chlorophenyl)sulfonyl-2-methylbenzimidazole has a molecular weight of 306.77 g/mol, XLogP of 3.24, 2 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-methylbenzimidazole is sourced from PubChem (CID 763279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).