4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C16H16F3NO2S — CID 71816821

IUPAC4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10,12,20H,1-2H3
InChIKeyRGVIYEUBIZYFCZ-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.05
Rot. Bonds4

About 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 71816821) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID71816821
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10,12,20H,1-2H3
InChIKeyRGVIYEUBIZYFCZ-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
p-Toluenesulfonamide, N-benzyl-
CID 95801
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
Aromatic/heteroaromatic sulfonamide 34
CID 1378039
N-(2-Amino-1-methyl-1-phenyl-ethyl)-benzenesulfonamide
CID 3122816
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
4-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 976424
4-methyl-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide
CID 2525511
N-(1-methyl-3-phenylpropyl)benzenesulfonamide
CID 2914449
4-Methyl-N-(2-methyl-benzyl)-benzenesulfonamide
CID 789719
N-Phenethyl-p-toluenesulfonamide
CID 225587
N-(1-Phenylethyl)benzenesulfonamide
CID 99969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 71816821) is 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is RGVIYEUBIZYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10,12,20H,1-2H3.
What are the key properties of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71816821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).