4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide

C16H15F3N2O3S — CID 16591110

IUPAC4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-9(2)21-25(23,24)11-5-3-10(4-6-11)16(22)20-13-8-7-12(17)14(18)15(13)19/h3-9,21H,1-2H3,(H,20,22)
InChIKeyMHKNCGVPKGBVHC-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.04
Rot. Bonds5

About 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide

4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 16591110) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID16591110
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-9(2)21-25(23,24)11-5-3-10(4-6-11)16(22)20-13-8-7-12(17)14(18)15(13)19/h3-9,21H,1-2H3,(H,20,22)
InChIKeyMHKNCGVPKGBVHC-UHFFFAOYSA-N
XLogP3.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.04
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

N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109059097
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 4797097
4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
CID 62237967

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 16591110) is 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is MHKNCGVPKGBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-9(2)21-25(23,24)11-5-3-10(4-6-11)16(22)20-13-8-7-12(17)14(18)15(13)19/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 372.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 16591110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).