N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C14H17F3N2O4S — CID 31109375

IUPACN-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O4S/c1-18-13(20)10-6-8-19(9-7-10)24(21,22)12-5-3-2-4-11(12)23-14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyZXUJGGZQBKINFJ-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 31109375) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID31109375
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC NameN-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O4S/c1-18-13(20)10-6-8-19(9-7-10)24(21,22)12-5-3-2-4-11(12)23-14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyZXUJGGZQBKINFJ-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962804
methyl 1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-2-carboxylate
CID 3775996
7-phenyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-thiazepane
CID 73169058
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
1-(4-acetylphenyl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 24556536
3-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992802
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 55512284
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 31109375) is N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZXUJGGZQBKINFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-18-13(20)10-6-8-19(9-7-10)24(21,22)12-5-3-2-4-11(12)23-14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20).
What are the key properties of N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 31109375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).