1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole

C14H11FN2O3S — CID 2858316

IUPAC1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole
SMILESCOc1cc(F)ccc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C14H11FN2O3S/c1-20-13-8-10(15)6-7-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyBMKLHVCLNMJOSI-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole

1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole (PubChem CID 2858316) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole
PubChem CID2858316
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole
SMILESCOc1cc(F)ccc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C14H11FN2O3S/c1-20-13-8-10(15)6-7-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyBMKLHVCLNMJOSI-UHFFFAOYSA-N
XLogP2.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole (CID 2858316) is 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole is COc1cc(F)ccc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
The InChIKey is BMKLHVCLNMJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-20-13-8-10(15)6-7-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole has a molecular weight of 306.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 2858316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).