1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide

C13H14ClF3N2O3S — CID 18170878

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H14ClF3N2O3S/c14-11-4-3-9(6-10(11)13(15,16)17)23(21,22)19-5-1-2-8(7-19)12(18)20/h3-4,6,8H,1-2,5,7H2,(H2,18,20)
InChIKeyCNJRZCSBMASXLT-UHFFFAOYSA-N
MW370.78 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 18170878) has the molecular formula C13H14ClF3N2O3S and a molecular weight of 370.78 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID18170878
Molecular FormulaC13H14ClF3N2O3S
Molecular Weight370.78 g/mol
Exact Mass370.04
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H14ClF3N2O3S/c14-11-4-3-9(6-10(11)13(15,16)17)23(21,22)19-5-1-2-8(7-19)12(18)20/h3-4,6,8H,1-2,5,7H2,(H2,18,20)
InChIKeyCNJRZCSBMASXLT-UHFFFAOYSA-N
XLogP2.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962514
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 126397163
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2960770
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
(1S,5S)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 98399944

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide (CID 18170878) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is CNJRZCSBMASXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3S/c14-11-4-3-9(6-10(11)13(15,16)17)23(21,22)19-5-1-2-8(7-19)12(18)20/h3-4,6,8H,1-2,5,7H2,(H2,18,20).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 370.78 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 18170878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).