(3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone

C21H24FNO3S — CID 45201285

IUPAC(3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCC(C)S(=O)(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C21H24FNO3S/c1-15(2)27(25,26)23-12-6-9-18(14-23)21(24)17-10-11-19(20(22)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3
InChIKeyXJBVHVRPUISTLG-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.13
Rot. Bonds5

About (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone

(3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 45201285) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
PubChem CID45201285
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name(3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCC(C)S(=O)(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C21H24FNO3S/c1-15(2)27(25,26)23-12-6-9-18(14-23)21(24)17-10-11-19(20(22)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3
InChIKeyXJBVHVRPUISTLG-UHFFFAOYSA-N
XLogP4.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone 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 (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone (CID 45201285) is (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone is CC(C)S(=O)(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is XJBVHVRPUISTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c1-15(2)27(25,26)23-12-6-9-18(14-23)21(24)17-10-11-19(20(22)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3.
What are the key properties of (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
(3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 389.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 45201285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).