1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole

C15H14N2O4S — CID 22200837

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

About 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole

1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole (PubChem CID 22200837) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
PubChem CID22200837
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)c(OC)c1
InChIInChI=1S/C15H14N2O4S/c1-20-11-7-8-15(14(9-11)21-2)22(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3
InChIKeyQFASVFUFVIYPQG-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole (CID 22200837) is 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole is COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole?
The InChIKey is QFASVFUFVIYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-20-11-7-8-15(14(9-11)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-(2,4-dimethoxyphenyl)sulfonylbenzimidazole?
1-(2,4-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-(2,4-dimethoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 22200837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).