N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide

C23H23F3N2O3S — CID 164862066

IUPACN-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
SMILESCN(C)C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O3S/c1-28(2)16-22(17-7-6-8-18(15-17)23(24,25)26)27-32(29,30)21-13-11-20(12-14-21)31-19-9-4-3-5-10-19/h3-15,22,27H,16H2,1-2H3/t22-/m1/s1
InChIKeyZEXOHLZUNJVACP-JOCHJYFZSA-N
MW464.51 g/mol
LogP5.08
Rot. Bonds8

About N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide

N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide (PubChem CID 164862066) has the molecular formula C23H23F3N2O3S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
PubChem CID164862066
Molecular FormulaC23H23F3N2O3S
Molecular Weight464.51 g/mol
Exact Mass464.14
IUPAC NameN-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
SMILESCN(C)C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O3S/c1-28(2)16-22(17-7-6-8-18(15-17)23(24,25)26)27-32(29,30)21-13-11-20(12-14-21)31-19-9-4-3-5-10-19/h3-15,22,27H,16H2,1-2H3/t22-/m1/s1
InChIKeyZEXOHLZUNJVACP-JOCHJYFZSA-N
XLogP5.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862402
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-3-nitro-4-(trifluoromethoxy)benzenesulfonamide
CID 164862517
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862084
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
ethyl (3S)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-3-[3-(trifluoromethyl)phenyl]propanoate
CID 164861953
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
N-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862097

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide (CID 164862066) is N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide is CN(C)C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is ZEXOHLZUNJVACP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23F3N2O3S/c1-28(2)16-22(17-7-6-8-18(15-17)23(24,25)26)27-32(29,30)21-13-11-20(12-14-21)31-19-9-4-3-5-10-19/h3-15,22,27H,16H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide?
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 464.51 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 164862066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).