1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole

C14H11FN2O3S — CID 1583575

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonylbenzimidazole
SMILESCOC1=C(C=C(C=C1)F)S(=O)(=O)N2C=NC3=CC=CC=C32
InChIInChI=1S/C14H11FN2O3S/c1-20-13-7-6-10(15)8-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyVJJLTNUDBNHGDL-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.70
Rot. Bonds3

About 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole

1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole (PubChem CID 1583575) has the molecular formula C14H11FN2O3S and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
PubChem CID1583575
Molecular FormulaC14H11FN2O3S
Molecular Weight306.31 g/mol
Exact Mass306.05
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonylbenzimidazole
SMILESCOC1=C(C=C(C=C1)F)S(=O)(=O)N2C=NC3=CC=CC=C32
InChIInChI=1S/C14H11FN2O3S/c1-20-13-7-6-10(15)8-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyVJJLTNUDBNHGDL-UHFFFAOYSA-N
XLogP2.70
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity467

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole (CID 1583575) is 1-(5-fluoro-2-methoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole is COC1=C(C=C(C=C1)F)S(=O)(=O)N2C=NC3=CC=CC=C32.
What is the InChIKey of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
The InChIKey is VJJLTNUDBNHGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-20-13-7-6-10(15)8-14(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-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole?
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole has a molecular weight of 306.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 1583575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).