1-(4-ethoxyphenyl)sulfonylbenzimidazole

C15H14N2O3S — CID 846993

IUPAC1-(4-ethoxyphenyl)sulfonylbenzimidazole
SMILESCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S/c1-2-20-12-7-9-13(10-8-12)21(18,19)17-11-16-14-5-3-4-6-15(14)17/h3-11H,2H2,1H3
InChIKeyFYUWKJWJGQARSL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonylbenzimidazole

1-(4-ethoxyphenyl)sulfonylbenzimidazole (PubChem CID 846993) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonylbenzimidazole
PubChem CID846993
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(4-ethoxyphenyl)sulfonylbenzimidazole
SMILESCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S/c1-2-20-12-7-9-13(10-8-12)21(18,19)17-11-16-14-5-3-4-6-15(14)17/h3-11H,2H2,1H3
InChIKeyFYUWKJWJGQARSL-UHFFFAOYSA-N
XLogP2.67
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonylbenzimidazole (CID 846993) is 1-(4-ethoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonylbenzimidazole is CCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonylbenzimidazole?
The InChIKey is FYUWKJWJGQARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-20-12-7-9-13(10-8-12)21(18,19)17-11-16-14-5-3-4-6-15(14)17/h3-11H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonylbenzimidazole?
1-(4-ethoxyphenyl)sulfonylbenzimidazole has a molecular weight of 302.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 846993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).