N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide

C14H17F3N2O3S — CID 47026868

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c1-18-13(20)12-7-2-3-8-19(12)23(21,22)11-6-4-5-10(9-11)14(15,16)17/h4-6,9,12H,2-3,7-8H2,1H3,(H,18,20)
InChIKeyGFXCRTTYNZNLTF-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.99
Rot. Bonds3

About N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide

N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide (PubChem CID 47026868) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
PubChem CID47026868
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c1-18-13(20)12-7-2-3-8-19(12)23(21,22)11-6-4-5-10(9-11)14(15,16)17/h4-6,9,12H,2-3,7-8H2,1H3,(H,18,20)
InChIKeyGFXCRTTYNZNLTF-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 3652452
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetic acid
CID 57436798
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 103697332
(2R,3R)-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122105471
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 93100814
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990859
3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 107070709
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039
(2R)-1-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 41024699
N-[(2S)-1-[4-(dimethylamino)anilino]-3-[4-(1-hydroxyethyl)phenyl]-1-oxopropan-2-yl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 70327367
(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carbothioamide;(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 157080497

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide (CID 47026868) is N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
The InChIKey is GFXCRTTYNZNLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-18-13(20)12-7-2-3-8-19(12)23(21,22)11-6-4-5-10(9-11)14(15,16)17/h4-6,9,12H,2-3,7-8H2,1H3,(H,18,20).
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 47026868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).