1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole

C15H14N2O4S — CID 684712

IUPAC1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1OC
InChIInChI=1S/C15H14N2O4S/c1-20-14-8-7-11(9-15(14)21-2)22(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3
InChIKeyYENZCNGDKHCLJO-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.29
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole

1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole (PubChem CID 684712) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole
PubChem CID684712
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1OC
InChIInChI=1S/C15H14N2O4S/c1-20-14-8-7-11(9-15(14)21-2)22(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3
InChIKeyYENZCNGDKHCLJO-UHFFFAOYSA-N
XLogP2.29
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(4-Fluoro-2-methoxy-benzenesulfonyl)-2-methyl-1H-benzoimidazole
CID 1106581
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575
1-(4-Methoxyphenyl)sulfonylbenzimidazole;hydrochloride
CID 23724233
1-(2-Methoxy-5-methylphenyl)sulfonylbenzimidazole
CID 686062
1-(4-Ethoxy-benzenesulfonyl)-5,6-dimethyl-1H-benzoimidazole
CID 645879
1-(2,5-Dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 700152
1-(2,5-Dimethoxyphenyl)sulfonylbenzimidazole
CID 742886
1-(4-Methoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 743799
1-(4-Ethoxyphenyl)sulfonyl-2-methylbenzimidazole
CID 846995
1-((4-fluoro-3-methoxyphenyl)sulfonyl)-2-methyl-1H-benzo[d]imidazole
CID 934649

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole (CID 684712) is 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole is COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole?
The InChIKey is YENZCNGDKHCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-20-14-8-7-11(9-15(14)21-2)22(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole?
1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole has a molecular weight of 318.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 684712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).