4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide

C16H22F3NO3S — CID 164862538

IUPAC4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCC1(C)C
InChIInChI=1S/C16H22F3NO3S/c1-11-10-12(8-9-15(11,2)3)20-24(21,22)14-6-4-13(5-7-14)23-16(17,18)19/h4-7,11-12,20H,8-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyGVDHBFNZIGBEGQ-NEPJUHHUSA-N
MW365.42 g/mol
LogP4.08
Rot. Bonds4

About 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide

4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide (PubChem CID 164862538) has the molecular formula C16H22F3NO3S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
PubChem CID164862538
Molecular FormulaC16H22F3NO3S
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC Name4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCC1(C)C
InChIInChI=1S/C16H22F3NO3S/c1-11-10-12(8-9-15(11,2)3)20-24(21,22)14-6-4-13(5-7-14)23-16(17,18)19/h4-7,11-12,20H,8-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyGVDHBFNZIGBEGQ-NEPJUHHUSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

4-(trifluoromethoxy)-N-(3,4,4-trimethylcyclohexyl)benzenesulfonamide
CID 164862828
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71263416
N-[(2S,4R)-2-[bis(4-fluorophenyl)methyl]oxan-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 167480855
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 170049610
N-[(1R,3S)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 78323204
N-[(4S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 167480932
N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 45278732
N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 134950538

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide (CID 164862538) is 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide is C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCC1(C)C.
What is the InChIKey of 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide?
The InChIKey is GVDHBFNZIGBEGQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22F3NO3S/c1-11-10-12(8-9-15(11,2)3)20-24(21,22)14-6-4-13(5-7-14)23-16(17,18)19/h4-7,11-12,20H,8-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide?
4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 164862538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).