3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C17H17F3N2O4S — CID 24672381

IUPAC3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O4S/c1-2-27(24,25)22-14-5-3-4-13(10-14)16(23)21-11-12-6-8-15(9-7-12)26-17(18,19)20/h3-10,22H,2,11H2,1H3,(H,21,23)
InChIKeyYFZGYZZNGYTFOD-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.28
Rot. Bonds7

About 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24672381) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24672381
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O4S/c1-2-27(24,25)22-14-5-3-4-13(10-14)16(23)21-11-12-6-8-15(9-7-12)26-17(18,19)20/h3-10,22H,2,11H2,1H3,(H,21,23)
InChIKeyYFZGYZZNGYTFOD-UHFFFAOYSA-N
XLogP3.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 49089748
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
4-chloro-3-(diethylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24584146
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24672381) is 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YFZGYZZNGYTFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-2-27(24,25)22-14-5-3-4-13(10-14)16(23)21-11-12-6-8-15(9-7-12)26-17(18,19)20/h3-10,22H,2,11H2,1H3,(H,21,23).
What are the key properties of 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 402.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24672381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).