N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

C25H27F3N2O2S — CID 58779401

IUPACN-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(N[C@H]1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H27F3N2O2S/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)29-23-11-4-5-12-24(23)30-33(31,32)20-15-13-19(14-16-20)25(26,27)28/h2-3,6-10,13-17,23-24,29-30H,4-5,11-12H2,1H3/t17?,23-,24?/m0/s1
InChIKeyULFCONGTFKAEBS-JXKJCSFESA-N
MW476.56 g/mol
LogP5.80
Rot. Bonds6

About N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 58779401) has the molecular formula C25H27F3N2O2S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID58779401
Molecular FormulaC25H27F3N2O2S
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC NameN-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(N[C@H]1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H27F3N2O2S/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)29-23-11-4-5-12-24(23)30-33(31,32)20-15-13-19(14-16-20)25(26,27)28/h2-3,6-10,13-17,23-24,29-30H,4-5,11-12H2,1H3/t17?,23-,24?/m0/s1
InChIKeyULFCONGTFKAEBS-JXKJCSFESA-N
XLogP5.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11849343
2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
CID 11849518
N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 11849472
N-[(1R,2R)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 11849381
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
(2S)-1-N-[(2-chlorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine;dihydrochloride
CID 158375573
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
[3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propyl] sulfate
CID 163493521

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (CID 58779401) is N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is CC(N[C@H]1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ULFCONGTFKAEBS-JXKJCSFESA-N. The full InChI is InChI=1S/C25H27F3N2O2S/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)29-23-11-4-5-12-24(23)30-33(31,32)20-15-13-19(14-16-20)25(26,27)28/h2-3,6-10,13-17,23-24,29-30H,4-5,11-12H2,1H3/t17?,23-,24?/m0/s1.
What are the key properties of N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 58779401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).