4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C16H14F3NO3S — CID 27305818

IUPAC4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-11(21)13-4-8-15(9-5-13)24(22,23)20-10-12-2-6-14(7-3-12)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeySWNZZZYKVOVMKY-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.39
Rot. Bonds5

About 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 27305818) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID27305818
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-11(21)13-4-8-15(9-5-13)24(22,23)20-10-12-2-6-14(7-3-12)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeySWNZZZYKVOVMKY-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 27305818) is 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SWNZZZYKVOVMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-11(21)13-4-8-15(9-5-13)24(22,23)20-10-12-2-6-14(7-3-12)16(17,18)19/h2-9,20H,10H2,1H3.
What are the key properties of 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 357.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 27305818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).