4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide

C15H12F3NO3S — CID 3783005

IUPAC4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H12F3NO3S/c1-9(20)10-2-5-12(6-3-10)23(21,22)19-8-11-4-7-13(16)15(18)14(11)17/h2-7,19H,8H2,1H3
InChIKeyIAFPOQYYPFFGJT-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.79
Rot. Bonds5

About 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide

4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide (PubChem CID 3783005) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
PubChem CID3783005
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H12F3NO3S/c1-9(20)10-2-5-12(6-3-10)23(21,22)19-8-11-4-7-13(16)15(18)14(11)17/h2-7,19H,8H2,1H3
InChIKeyIAFPOQYYPFFGJT-UHFFFAOYSA-N
XLogP2.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide
CID 74226496
4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
2,3,4,5,6-pentafluoro-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3813246
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
CID 110780799
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710698
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide (CID 3783005) is 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide?
The InChIKey is IAFPOQYYPFFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-9(20)10-2-5-12(6-3-10)23(21,22)19-8-11-4-7-13(16)15(18)14(11)17/h2-7,19H,8H2,1H3.
What are the key properties of 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide?
4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3783005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).