6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

C12H17F3N2O2S — CID 69115799

IUPAC6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)11(9-4-7-17-8-5-9)6-2-1-3-10(11)20(16,18)19/h1-3,6,9-10,17H,4-5,7-8H2,(H2,16,18,19)
InChIKeyZFBVGYSZFNAEQZ-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.32
Rot. Bonds2

About 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 69115799) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID69115799
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)11(9-4-7-17-8-5-9)6-2-1-3-10(11)20(16,18)19/h1-3,6,9-10,17H,4-5,7-8H2,(H2,16,18,19)
InChIKeyZFBVGYSZFNAEQZ-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
CID 143465958
N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 170070186
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75387504
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75431534
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97240062
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97240063
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326166
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326167
1-(piperidin-4-ylmethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490308
1-(piperidin-3-ylmethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490312
2,4,5,6-Tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
CID 67590135
N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
CID 143792094

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (CID 69115799) is 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1C=CC=CC1(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is ZFBVGYSZFNAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c13-12(14,15)11(9-4-7-17-8-5-9)6-2-1-3-10(11)20(16,18)19/h1-3,6,9-10,17H,4-5,7-8H2,(H2,16,18,19).
What are the key properties of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 69115799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).