3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C18H19F3N2O4S — CID 55714526

IUPAC3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-2-23-28(25,26)16-8-4-6-14(10-16)17(24)22-11-13-5-3-7-15(9-13)27-12-18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyIYLSZLPRJMQCMG-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.86
Rot. Bonds8

About 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 55714526) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID55714526
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-2-23-28(25,26)16-8-4-6-14(10-16)17(24)22-11-13-5-3-7-15(9-13)27-12-18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyIYLSZLPRJMQCMG-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712157
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
2-chloro-5-methylsulfonyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78889136
4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913885
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 55714526) is 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is IYLSZLPRJMQCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-2-23-28(25,26)16-8-4-6-14(10-16)17(24)22-11-13-5-3-7-15(9-13)27-12-18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24).
What are the key properties of 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55714526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).