N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide

C19H14F3NO2S — CID 67686843

IUPACN,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)17-13-7-8-14-18(17)26(24,25)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyGVTKHRJDRMYLRV-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.23
Rot. Bonds4

About N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide

N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 67686843) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID67686843
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)17-13-7-8-14-18(17)26(24,25)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyGVTKHRJDRMYLRV-UHFFFAOYSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide (CID 67686843) is N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccccc1C(F)(F)F)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GVTKHRJDRMYLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-19(21,22)17-13-7-8-14-18(17)26(24,25)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide?
N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67686843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).