4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide

C21H17F3N2O3S — CID 4797097

IUPAC4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-2-26(15-6-4-3-5-7-15)30(28,29)16-10-8-14(9-11-16)21(27)25-18-13-12-17(22)19(23)20(18)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyCJHZUBWNEJRQRC-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.57
Rot. Bonds6

About 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide

4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 4797097) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID4797097
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-2-26(15-6-4-3-5-7-15)30(28,29)16-10-8-14(9-11-16)21(27)25-18-13-12-17(22)19(23)20(18)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyCJHZUBWNEJRQRC-UHFFFAOYSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.57
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-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2711419
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41006324
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetate
CID 2388120
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587626
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 4874894

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide (CID 4797097) is 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is CJHZUBWNEJRQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-2-26(15-6-4-3-5-7-15)30(28,29)16-10-8-14(9-11-16)21(27)25-18-13-12-17(22)19(23)20(18)24/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 4797097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).