N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide

C21H18F3NO2S — CID 3312193

IUPACN-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO2S/c22-21(23,24)18-12-7-13-19(14-18)28(26,27)25-15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20,25H,15H2
InChIKeyGQEVOJYUXYPJRV-UHFFFAOYSA-N
MW405.44 g/mol
LogP4.82
Rot. Bonds6

About N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3312193) has the molecular formula C21H18F3NO2S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3312193
Molecular FormulaC21H18F3NO2S
Molecular Weight405.44 g/mol
Exact Mass405.10
IUPAC NameN-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO2S/c22-21(23,24)18-12-7-13-19(14-18)28(26,27)25-15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20,25H,15H2
InChIKeyGQEVOJYUXYPJRV-UHFFFAOYSA-N
XLogP4.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90598156
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3312193) is N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GQEVOJYUXYPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO2S/c22-21(23,24)18-12-7-13-19(14-18)28(26,27)25-15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20,25H,15H2.
What are the key properties of N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 405.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3312193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).