1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole

C15H13FN2O3S — CID 934649

IUPAC1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole
SMILESCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F
InChIInChI=1S/C15H13FN2O3S/c1-10-17-13-5-3-4-6-14(13)18(10)22(19,20)11-7-8-12(16)15(9-11)21-2/h3-9H,1-2H3
InChIKeyDRJGLNJUJMRVJJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole

1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole (PubChem CID 934649) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole
PubChem CID934649
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole
SMILESCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F
InChIInChI=1S/C15H13FN2O3S/c1-10-17-13-5-3-4-6-14(13)18(10)22(19,20)11-7-8-12(16)15(9-11)21-2/h3-9H,1-2H3
InChIKeyDRJGLNJUJMRVJJ-UHFFFAOYSA-N
XLogP2.73
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole (CID 934649) is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole is COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole?
The InChIKey is DRJGLNJUJMRVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-10-17-13-5-3-4-6-14(13)18(10)22(19,20)11-7-8-12(16)15(9-11)21-2/h3-9H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole?
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole has a molecular weight of 320.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylbenzimidazole is sourced from PubChem (CID 934649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).