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

C19H25F3N2O3S — CID 68875775

IUPACN-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCCNC1)C1CCCCC1
InChIInChI=1S/C19H25F3N2O3S/c20-19(21,22)15-8-4-9-16(12-15)28(26,27)18(10-5-11-23-13-18)24-17(25)14-6-2-1-3-7-14/h4,8-9,12,14,23H,1-3,5-7,10-11,13H2,(H,24,25)/t18-/m0/s1
InChIKeyIWUHRCMMNDJCSD-SFHVURJKSA-N
MW418.48 g/mol
LogP3.26
Rot. Bonds4

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

N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68875775) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68875775
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC NameN-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCCNC1)C1CCCCC1
InChIInChI=1S/C19H25F3N2O3S/c20-19(21,22)15-8-4-9-16(12-15)28(26,27)18(10-5-11-23-13-18)24-17(25)14-6-2-1-3-7-14/h4,8-9,12,14,23H,1-3,5-7,10-11,13H2,(H,24,25)/t18-/m0/s1
InChIKeyIWUHRCMMNDJCSD-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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68875775) is N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(N[C@]1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCCNC1)C1CCCCC1.
What is the InChIKey of N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is IWUHRCMMNDJCSD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c20-19(21,22)15-8-4-9-16(12-15)28(26,27)18(10-5-11-23-13-18)24-17(25)14-6-2-1-3-7-14/h4,8-9,12,14,23H,1-3,5-7,10-11,13H2,(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-3-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-3-[3-(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-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68875775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).