N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide

C19H25F3N2O3S — CID 68874794

IUPACN-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(S(=O)(=O)c2ccccc2C(F)(F)F)CCCNC1)C1CCCCC1
InChIInChI=1S/C19H25F3N2O3S/c20-19(21,22)15-9-4-5-10-16(15)28(26,27)18(11-6-12-23-13-18)24-17(25)14-7-2-1-3-8-14/h4-5,9-10,14,23H,1-3,6-8,11-13H2,(H,24,25)/t18-/m0/s1
InChIKeyWAHCMFAJMPOKQR-SFHVURJKSA-N
MW418.48 g/mol
LogP3.26
Rot. Bonds4

About N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68874794) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68874794
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC NameN-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(S(=O)(=O)c2ccccc2C(F)(F)F)CCCNC1)C1CCCCC1
InChIInChI=1S/C19H25F3N2O3S/c20-19(21,22)15-9-4-5-10-16(15)28(26,27)18(11-6-12-23-13-18)24-17(25)14-7-2-1-3-8-14/h4-5,9-10,14,23H,1-3,6-8,11-13H2,(H,24,25)/t18-/m0/s1
InChIKeyWAHCMFAJMPOKQR-SFHVURJKSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68990474
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872035
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxycyclohexane-1-carboxamide
CID 68873124
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide
CID 68875694
N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
CID 8523817
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114694184
(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71108110
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 4844092
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68874794) is N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(N[C@]1(S(=O)(=O)c2ccccc2C(F)(F)F)CCCNC1)C1CCCCC1.
What is the InChIKey of N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is WAHCMFAJMPOKQR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c20-19(21,22)15-9-4-5-10-16(15)28(26,27)18(11-6-12-23-13-18)24-17(25)14-7-2-1-3-8-14/h4-5,9-10,14,23H,1-3,6-8,11-13H2,(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68874794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).