1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C16H15FN2O3S — CID 935475

IUPAC1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F
InChIInChI=1S/C16H15FN2O3S/c1-22-15-11-13(7-8-14(15)17)23(20,21)19-10-9-18-16(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyAVDFCHGQOBJHBY-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 935475) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID935475
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F
InChIInChI=1S/C16H15FN2O3S/c1-22-15-11-13(7-8-14(15)17)23(20,21)19-10-9-18-16(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyAVDFCHGQOBJHBY-UHFFFAOYSA-N
XLogP2.29
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 935475) is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is AVDFCHGQOBJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-22-15-11-13(7-8-14(15)17)23(20,21)19-10-9-18-16(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 334.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 935475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).