3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C16H14F3NO3S — CID 2442733

IUPAC3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3NO3S/c1-11(21)13-5-3-7-15(9-13)24(22,23)20-10-12-4-2-6-14(8-12)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeyORXHVLFVDFEVSY-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.39
Rot. Bonds5

About 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 2442733) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID2442733
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3NO3S/c1-11(21)13-5-3-7-15(9-13)24(22,23)20-10-12-4-2-6-14(8-12)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeyORXHVLFVDFEVSY-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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Related Compounds

3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 2442733) is 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ORXHVLFVDFEVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-11(21)13-5-3-7-15(9-13)24(22,23)20-10-12-4-2-6-14(8-12)16(17,18)19/h2-9,20H,10H2,1H3.
What are the key properties of 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
3-acetyl-N-[[3-(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 3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 2442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).