N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C22H20F3NO2S — CID 74226733

IUPACN-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3NO2S/c23-22(24,25)19-12-7-13-20(16-19)29(27,28)26-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,26H,14-15H2
InChIKeyWOVZTYFZUKJCJU-UHFFFAOYSA-N
MW419.47 g/mol
LogP5.21
Rot. Bonds7

About N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 74226733) has the molecular formula C22H20F3NO2S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID74226733
Molecular FormulaC22H20F3NO2S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC NameN-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3NO2S/c23-22(24,25)19-12-7-13-20(16-19)29(27,28)26-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,26H,14-15H2
InChIKeyWOVZTYFZUKJCJU-UHFFFAOYSA-N
XLogP5.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 74226733) is N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WOVZTYFZUKJCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2S/c23-22(24,25)19-12-7-13-20(16-19)29(27,28)26-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,26H,14-15H2.
What are the key properties of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 419.47 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 74226733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).