3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C22H19F3N2O4S — CID 26087855

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-27(18-9-11-19(31-2)12-10-18)32(29,30)20-8-3-5-15(13-20)21(28)26-17-7-4-6-16(14-17)22(23,24)25/h3-14H,1-2H3,(H,26,28)
InChIKeyXFOYGRCJDZYWSS-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.79
Rot. Bonds6

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 26087855) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID26087855
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-27(18-9-11-19(31-2)12-10-18)32(29,30)20-8-3-5-15(13-20)21(28)26-17-7-4-6-16(14-17)22(23,24)25/h3-14H,1-2H3,(H,26,28)
InChIKeyXFOYGRCJDZYWSS-UHFFFAOYSA-N
XLogP4.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1265832
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 2553279
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55655520
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55778587

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 26087855) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XFOYGRCJDZYWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-27(18-9-11-19(31-2)12-10-18)32(29,30)20-8-3-5-15(13-20)21(28)26-17-7-4-6-16(14-17)22(23,24)25/h3-14H,1-2H3,(H,26,28).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 464.47 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26087855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).