5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C17H16F4N2O3S — CID 55910020

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F4N2O3S/c1-2-23-27(25,26)13-7-8-15(18)14(9-13)16(24)22-10-11-3-5-12(6-4-11)17(19,20)21/h3-9,23H,2,10H2,1H3,(H,22,24)
InChIKeyGVBCDCKIVKUMGL-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.07
Rot. Bonds6

About 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55910020) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55910020
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F4N2O3S/c1-2-23-27(25,26)13-7-8-15(18)14(9-13)16(24)22-10-11-3-5-12(6-4-11)17(19,20)21/h3-9,23H,2,10H2,1H3,(H,22,24)
InChIKeyGVBCDCKIVKUMGL-UHFFFAOYSA-N
XLogP3.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 55910283
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
(2S)-2-[[4-fluoro-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11567447
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
3-bromo-N-ethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393477

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 55910020) is 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is GVBCDCKIVKUMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-2-23-27(25,26)13-7-8-15(18)14(9-13)16(24)22-10-11-3-5-12(6-4-11)17(19,20)21/h3-9,23H,2,10H2,1H3,(H,22,24).
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 404.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55910020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).