(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide

C15H18ClF3N2O3S — CID 41447130

IUPAC(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C15H18ClF3N2O3S/c1-2-25(23,24)21-7-3-4-10(9-21)14(22)20-13-8-11(15(17,18)19)5-6-12(13)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyJYTCBFJNSKTELA-SNVBAGLBSA-N
MW398.83 g/mol
LogP3.36
Rot. Bonds4

About (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide

(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 41447130) has the molecular formula C15H18ClF3N2O3S and a molecular weight of 398.83 g/mol. Its IUPAC name is (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID41447130
Molecular FormulaC15H18ClF3N2O3S
Molecular Weight398.83 g/mol
Exact Mass398.07
IUPAC Name(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C15H18ClF3N2O3S/c1-2-25(23,24)21-7-3-4-10(9-21)14(22)20-13-8-11(15(17,18)19)5-6-12(13)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyJYTCBFJNSKTELA-SNVBAGLBSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92676559
(3S)-1-(4-bromophenyl)sulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 126395199
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302518
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924034
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 2200897
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924033
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642592
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 146337060
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 41447130) is (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1.
What is the InChIKey of (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is JYTCBFJNSKTELA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3S/c1-2-25(23,24)21-7-3-4-10(9-21)14(22)20-13-8-11(15(17,18)19)5-6-12(13)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide?
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41447130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).