N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C16H15F3N2O3S — CID 25346546

IUPACN-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCCNC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O3S/c1-2-20-15(22)11-5-3-7-13(9-11)21-25(23,24)14-8-4-6-12(10-14)16(17,18)19/h3-10,21H,2H2,1H3,(H,20,22)
InChIKeyZJZQZBNLPTUZIU-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.26
Rot. Bonds5

About N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 25346546) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID25346546
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCCNC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O3S/c1-2-20-15(22)11-5-3-7-13(9-11)21-25(23,24)14-8-4-6-12(10-14)16(17,18)19/h3-10,21H,2H2,1H3,(H,20,22)
InChIKeyZJZQZBNLPTUZIU-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 41250993
4-[2-[[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]ethyl]benzoic acid
CID 174539218
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
3-[(3,3-dimethylbutanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24541072
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 3691485
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 25346546) is N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is CCNC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is ZJZQZBNLPTUZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-2-20-15(22)11-5-3-7-13(9-11)21-25(23,24)14-8-4-6-12(10-14)16(17,18)19/h3-10,21H,2H2,1H3,(H,20,22).
What are the key properties of N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 372.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 25346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).