N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C16H14F3NO3S — CID 24776337

IUPACN-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-12(21)13-7-9-14(10-8-13)20(11-16(17,18)19)24(22,23)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeySLRAFPZKYWAAMQ-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.65
Rot. Bonds5

About N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 24776337) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID24776337
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC NameN-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-12(21)13-7-9-14(10-8-13)20(11-16(17,18)19)24(22,23)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeySLRAFPZKYWAAMQ-UHFFFAOYSA-N
XLogP3.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 24776337) is N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is SLRAFPZKYWAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-12(21)13-7-9-14(10-8-13)20(11-16(17,18)19)24(22,23)15-5-3-2-4-6-15/h2-10H,11H2,1H3.
What are the key properties of N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 357.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 24776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).