(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C15H19ClF3N3O3S — CID 92676559

IUPAC(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C15H19ClF3N3O3S/c1-21(2)26(24,25)22-7-3-4-10(9-22)14(23)20-13-8-11(15(17,18)19)5-6-12(13)16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,23)/t10-/m0/s1
InChIKeyVVKIZHSQDZSJNM-JTQLQIEISA-N
MW413.85 g/mol
LogP2.82
Rot. Bonds4

About (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 92676559) has the molecular formula C15H19ClF3N3O3S and a molecular weight of 413.85 g/mol. Its IUPAC name is (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID92676559
Molecular FormulaC15H19ClF3N3O3S
Molecular Weight413.85 g/mol
Exact Mass413.08
IUPAC Name(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C15H19ClF3N3O3S/c1-21(2)26(24,25)22-7-3-4-10(9-22)14(23)20-13-8-11(15(17,18)19)5-6-12(13)16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,23)/t10-/m0/s1
InChIKeyVVKIZHSQDZSJNM-JTQLQIEISA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447130
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43905928
(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
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-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924033
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92671735

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 92676559) is (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1.
What is the InChIKey of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is VVKIZHSQDZSJNM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClF3N3O3S/c1-21(2)26(24,25)22-7-3-4-10(9-22)14(23)20-13-8-11(15(17,18)19)5-6-12(13)16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,20,23)/t10-/m0/s1.
What are the key properties of (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 413.85 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 92676559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).