N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide

C15H13F3N2O3S — CID 74226496

IUPACN-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-9(21)20-11-3-5-12(6-4-11)24(22,23)19-8-10-2-7-13(16)15(18)14(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyXQQPAOSIYCIMHW-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.54
Rot. Bonds5

About N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide

N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 74226496) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID74226496
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-9(21)20-11-3-5-12(6-4-11)24(22,23)19-8-10-2-7-13(16)15(18)14(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyXQQPAOSIYCIMHW-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3783005
4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
2,3,4,5,6-pentafluoro-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3813246
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide
CID 2826149
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide (CID 74226496) is N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is XQQPAOSIYCIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-9(21)20-11-3-5-12(6-4-11)24(22,23)19-8-10-2-7-13(16)15(18)14(10)17/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 358.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 74226496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).