1-(4-chlorophenyl)sulfonylbenzimidazole

C13H9ClN2O2S — CID 746713

IUPAC1-(4-chlorophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cnc2ccccc21
InChIInChI=1S/C13H9ClN2O2S/c14-10-5-7-11(8-6-10)19(17,18)16-9-15-12-3-1-2-4-13(12)16/h1-9H
InChIKeyILWBKMKLQSOCPN-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylbenzimidazole

1-(4-chlorophenyl)sulfonylbenzimidazole (PubChem CID 746713) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylbenzimidazole
PubChem CID746713
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name1-(4-chlorophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cnc2ccccc21
InChIInChI=1S/C13H9ClN2O2S/c14-10-5-7-11(8-6-10)19(17,18)16-9-15-12-3-1-2-4-13(12)16/h1-9H
InChIKeyILWBKMKLQSOCPN-UHFFFAOYSA-N
XLogP2.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
2-{2-[(4-chlorophenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 589050
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
1-methanesulfonyl-1H-1,3-benzodiazole
CID 262499
1-[(4-chlorophenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 976018
Cambridge id 6957993
CID 1326313
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-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177064
4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177212
1-[(4-fluorophenyl)sulfonyl]-1H-benzimidazole
CID 684711

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonylbenzimidazole (CID 746713) is 1-(4-chlorophenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylbenzimidazole is O=S(=O)(c1ccc(Cl)cc1)n1cnc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylbenzimidazole?
The InChIKey is ILWBKMKLQSOCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-10-5-7-11(8-6-10)19(17,18)16-9-15-12-3-1-2-4-13(12)16/h1-9H.
What are the key properties of 1-(4-chlorophenyl)sulfonylbenzimidazole?
1-(4-chlorophenyl)sulfonylbenzimidazole has a molecular weight of 292.75 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylbenzimidazole is sourced from PubChem (CID 746713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).