1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine

C18H19F2NO3S — CID 42682762

IUPAC1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C18H19F2NO3S/c19-15-9-14(10-16(20)11-15)13-24-17-5-4-8-21(12-17)25(22,23)18-6-2-1-3-7-18/h1-3,6-7,9-11,17H,4-5,8,12-13H2
InChIKeyJZOVZOUDYAYGTM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.33
Rot. Bonds5

About 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine

1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine (PubChem CID 42682762) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine
PubChem CID42682762
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C18H19F2NO3S/c19-15-9-14(10-16(20)11-15)13-24-17-5-4-8-21(12-17)25(22,23)18-6-2-1-3-7-18/h1-3,6-7,9-11,17H,4-5,8,12-13H2
InChIKeyJZOVZOUDYAYGTM-UHFFFAOYSA-N
XLogP3.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide
CID 45479935
4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892685
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
4-fluoro-N-(2-oxo-2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16895081
2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzene-1-sulfonamide
CID 16895110
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
4-((3-Chloro-4-fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895243
4-((3-Fluoro-4-methoxyphenyl)sulfonyl)-2-phenylmorpholine
CID 16895256
2-(2-Phenylethyl)-4-(phenylsulfonyl)morpholine
CID 45199529
3-[(2-Chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
CID 46153741
3-((Benzyloxy)methyl)-1-((3-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49669979

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine?
The IUPAC name of 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine (CID 42682762) is 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine is O=S(=O)(c1ccccc1)N1CCCC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine?
The InChIKey is JZOVZOUDYAYGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c19-15-9-14(10-16(20)11-15)13-24-17-5-4-8-21(12-17)25(22,23)18-6-2-1-3-7-18/h1-3,6-7,9-11,17H,4-5,8,12-13H2.
What are the key properties of 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine?
1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine has a molecular weight of 367.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine is sourced from PubChem (CID 42682762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).