(1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone

C20H22FNO3S — CID 45208600

IUPAC(1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone
SMILESCCS(=O)(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C20H22FNO3S/c1-2-26(24,25)22-12-6-9-17(14-22)20(23)16-10-11-18(19(21)13-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3
InChIKeyRYERUMBYPAOFAP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.74
Rot. Bonds5

About (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone

(1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone (PubChem CID 45208600) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone
PubChem CID45208600
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name(1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone
SMILESCCS(=O)(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C20H22FNO3S/c1-2-26(24,25)22-12-6-9-17(14-22)20(23)16-10-11-18(19(21)13-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3
InChIKeyRYERUMBYPAOFAP-UHFFFAOYSA-N
XLogP3.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone (CID 45208600) is (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone is CCS(=O)(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone?
The InChIKey is RYERUMBYPAOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-2-26(24,25)22-12-6-9-17(14-22)20(23)16-10-11-18(19(21)13-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3.
What are the key properties of (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone?
(1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-3-yl)-(3-fluoro-4-phenylphenyl)methanone is sourced from PubChem (CID 45208600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).