N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide

C19H14F3NO2S — CID 70022775

IUPACN,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)23(17-9-5-2-6-10-17)26(24,25)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKeyGXSHCJWFZFAQQS-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.07
Rot. Bonds4

About N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide

N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide (PubChem CID 70022775) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide
PubChem CID70022775
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)23(17-9-5-2-6-10-17)26(24,25)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKeyGXSHCJWFZFAQQS-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide (CID 70022775) is N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccc(-c2ccccc2)cc1)N(c1ccccc1)C(F)(F)F.
What is the InChIKey of N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GXSHCJWFZFAQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-19(21,22)23(17-9-5-2-6-10-17)26(24,25)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H.
What are the key properties of N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide?
N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 70022775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).