N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide

C12H17F3N2O2S — CID 170070186

IUPACN-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)C1=CC=CCC1C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)10-3-1-2-4-11(10)20(18,19)17-9-5-7-16-8-6-9/h1-2,4,9-10,16-17H,3,5-8H2
InChIKeyWGQWBLHFYGRNCE-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.68
Rot. Bonds3

About N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide

N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide (PubChem CID 170070186) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
PubChem CID170070186
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)C1=CC=CCC1C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)10-3-1-2-4-11(10)20(18,19)17-9-5-7-16-8-6-9/h1-2,4,9-10,16-17H,3,5-8H2
InChIKeyWGQWBLHFYGRNCE-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide (CID 170070186) is N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide is O=S(=O)(NC1CCNCC1)C1=CC=CCC1C(F)(F)F.
What is the InChIKey of N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is WGQWBLHFYGRNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c13-12(14,15)10-3-1-2-4-11(10)20(18,19)17-9-5-7-16-8-6-9/h1-2,4,9-10,16-17H,3,5-8H2.
What are the key properties of N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 170070186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).