N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide

C23H22F3NO3S — CID 11775267

IUPACN-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
SMILESCO[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3NO3S/c1-16-12-14-18(15-13-16)31(28,29)27-21(22(30-2)17-8-4-3-5-9-17)19-10-6-7-11-20(19)23(24,25)26/h3-15,21-22,27H,1-2H3/t21-,22-/m0/s1
InChIKeyLXKOPQDBMKGZFP-VXKWHMMOSA-N
MW449.49 g/mol
LogP5.42
Rot. Bonds7

About N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 11775267) has the molecular formula C23H22F3NO3S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
PubChem CID11775267
Molecular FormulaC23H22F3NO3S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC NameN-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
SMILESCO[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3NO3S/c1-16-12-14-18(15-13-16)31(28,29)27-21(22(30-2)17-8-4-3-5-9-17)19-10-6-7-11-20(19)23(24,25)26/h3-15,21-22,27H,1-2H3/t21-,22-/m0/s1
InChIKeyLXKOPQDBMKGZFP-VXKWHMMOSA-N
XLogP5.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 71816821
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 57408242
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
methyl 3-methyl-2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]butanoate
CID 101247522
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503
4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
4-methyl-N-[(1R,2S)-2-methylsulfanyl-1,2-diphenylethyl]benzenesulfonamide
CID 10971332

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide (CID 11775267) is N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide is CO[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is LXKOPQDBMKGZFP-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H22F3NO3S/c1-16-12-14-18(15-13-16)31(28,29)27-21(22(30-2)17-8-4-3-5-9-17)19-10-6-7-11-20(19)23(24,25)26/h3-15,21-22,27H,1-2H3/t21-,22-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 449.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11775267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).