N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide

C15H14F3NO2S — CID 46800016

IUPACN-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H14F3NO2S/c1-11(12-5-3-2-4-6-12)19-22(20,21)14-9-7-13(8-10-14)15(16,17)18/h2-11,19H,1H3
InChIKeyKPTMOPKIILHSRS-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.74
Rot. Bonds4

About N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 46800016) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID46800016
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H14F3NO2S/c1-11(12-5-3-2-4-6-12)19-22(20,21)14-9-7-13(8-10-14)15(16,17)18/h2-11,19H,1H3
InChIKeyKPTMOPKIILHSRS-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 46800016) is N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KPTMOPKIILHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-11(12-5-3-2-4-6-12)19-22(20,21)14-9-7-13(8-10-14)15(16,17)18/h2-11,19H,1H3.
What are the key properties of N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46800016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).