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

C23H21F3N2O4S — CID 55712150

IUPAC3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21F3N2O4S/c24-23(25,26)16-32-20-10-4-8-18(12-20)14-27-22(29)19-9-5-11-21(13-19)33(30,31)28-15-17-6-2-1-3-7-17/h1-13,28H,14-16H2,(H,27,29)
InChIKeyIEGRNCYUJUCHGS-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.04
Rot. Bonds9

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

3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 55712150) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID55712150
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC Name3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21F3N2O4S/c24-23(25,26)16-32-20-10-4-8-18(12-20)14-27-22(29)19-9-5-11-21(13-19)33(30,31)28-15-17-6-2-1-3-7-17/h1-13,28H,14-16H2,(H,27,29)
InChIKeyIEGRNCYUJUCHGS-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55714526
3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712157
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712137
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913885
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
CID 130431453
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 55712150) is 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is O=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is IEGRNCYUJUCHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c24-23(25,26)16-32-20-10-4-8-18(12-20)14-27-22(29)19-9-5-11-21(13-19)33(30,31)28-15-17-6-2-1-3-7-17/h1-13,28H,14-16H2,(H,27,29).
What are the key properties of 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 478.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55712150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).