1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine

C13H17F2NO2S — CID 4068791

IUPAC1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)11-3-4-12(14)13(15)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyKJIWLLLZHSYRNS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.63
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine

1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 4068791) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID4068791
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)11-3-4-12(14)13(15)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyKJIWLLLZHSYRNS-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
1-(Phenylsulfonyl)piperidine
CID 78733
n,n-Dibutylbenzenesulfonamide
CID 220596
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
N,N-diethyl-4-fluorobenzenesulfonamide
CID 669059
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
1-[4-(Benzenesulfonyl)-4-methylpentyl]-3-(trifluoromethyl)piperidine
CID 21048822
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355
1-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627871

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine (CID 4068791) is 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is KJIWLLLZHSYRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)11-3-4-12(14)13(15)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 289.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 4068791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).