1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine

C17H16ClF2NO2S — CID 23028687

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H16ClF2NO2S/c18-13-1-4-15(5-2-13)24(22,23)21-9-7-12(8-10-21)16-11-14(19)3-6-17(16)20/h1-6,11-12H,7-10H2
InChIKeyGAFTZSOZOBJXSO-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.19
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine

1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine (PubChem CID 23028687) has the molecular formula C17H16ClF2NO2S and a molecular weight of 371.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
PubChem CID23028687
Molecular FormulaC17H16ClF2NO2S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H16ClF2NO2S/c18-13-1-4-15(5-2-13)24(22,23)21-9-7-12(8-10-21)16-11-14(19)3-6-17(16)20/h1-6,11-12H,7-10H2
InChIKeyGAFTZSOZOBJXSO-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
7-(2,5-difluorophenyl)-4-(4-methylphenyl)sulfonyl-1,4-thiazepane
CID 90631938
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
7-(2,5-difluorophenyl)-4-(4-ethylphenyl)sulfonyl-1,4-thiazepane
CID 90631992
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
7-chloro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 162676924
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine (CID 23028687) is 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine is O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine?
The InChIKey is GAFTZSOZOBJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2S/c18-13-1-4-15(5-2-13)24(22,23)21-9-7-12(8-10-21)16-11-14(19)3-6-17(16)20/h1-6,11-12H,7-10H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine?
1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine has a molecular weight of 371.84 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine is sourced from PubChem (CID 23028687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).