2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C13H15F3N2O4S — CID 141035784

IUPAC2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCNC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)22-9-1-3-10(4-2-9)23(20,21)11-7-8(12(17)19)5-6-18-11/h1-4,8,11,18H,5-7H2,(H2,17,19)
InChIKeyDCHBGIDNERIVSG-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.17
Rot. Bonds4

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

2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 141035784) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID141035784
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCNC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)22-9-1-3-10(4-2-9)23(20,21)11-7-8(12(17)19)5-6-18-11/h1-4,8,11,18H,5-7H2,(H2,17,19)
InChIKeyDCHBGIDNERIVSG-UHFFFAOYSA-N
XLogP1.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
[3-[4-(trifluoromethoxy)phenyl]sulfonyloxycyclohexyl] 4-(trifluoromethoxy)benzenesulfonate
CID 90817223
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 31937683
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94109320
1-(4-fluorophenyl)-2-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfonylpiperidin-1-yl]ethanone
CID 24730959
2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 174645076
(2R,3R)-N,3-dihydroxy-N-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 87792773
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 141035784) is 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is NC(=O)C1CCNC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is DCHBGIDNERIVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c14-13(15,16)22-9-1-3-10(4-2-9)23(20,21)11-7-8(12(17)19)5-6-18-11/h1-4,8,11,18H,5-7H2,(H2,17,19).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 141035784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).