1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride

C14H13ClN2O3S — CID 23724233

IUPAC1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.Cl
InChIInChI=1S/C14H12N2O3S.ClH/c1-19-11-6-8-12(9-7-11)20(17,18)16-10-15-13-4-2-3-5-14(13)16;/h2-10H,1H3;1H
InChIKeyXIRDYQZIZJYDSU-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.70
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride

1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride (PubChem CID 23724233) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride
PubChem CID23724233
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.Cl
InChIInChI=1S/C14H12N2O3S.ClH/c1-19-11-6-8-12(9-7-11)20(17,18)16-10-15-13-4-2-3-5-14(13)16;/h2-10H,1H3;1H
InChIKeyXIRDYQZIZJYDSU-UHFFFAOYSA-N
XLogP2.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
CID 850116
1-(4-Fluoro-2-methoxy-benzenesulfonyl)-2-methyl-1H-benzoimidazole
CID 1106581
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575
2-(1-((4-methoxyphenyl)sulfonyl)piperidin-4-yl)-1H-benzo[d]imidazole
CID 16582832
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
1-(2-Methoxy-5-methylphenyl)sulfonylbenzimidazole
CID 686062
1-(3,4-Dimethoxy-benzenesulfonyl)-1H-benzoimidazole
CID 684712
1-(2-Methoxyphenyl)-1H-benzoimidazole
CID 5328427
1-(3-Methoxyphenyl)-1H-benzoimidazole
CID 5328437

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride (CID 23724233) is 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride is COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride?
The InChIKey is XIRDYQZIZJYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S.ClH/c1-19-11-6-8-12(9-7-11)20(17,18)16-10-15-13-4-2-3-5-14(13)16;/h2-10H,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride?
1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride has a molecular weight of 324.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylbenzimidazole;hydrochloride is sourced from PubChem (CID 23724233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).