4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C22H19F3N2O5S — CID 24560631

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H19F3N2O5S/c1-31-18-10-8-17(9-11-18)27-33(29,30)19-12-6-15(7-13-19)21(28)26-14-16-4-2-3-5-20(16)32-22(23,24)25/h2-13,27H,14H2,1H3,(H,26,28)
InChIKeyYRTZOUOUOBRGKE-UHFFFAOYSA-N
MW480.46 g/mol
LogP4.32
Rot. Bonds8

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24560631) has the molecular formula C22H19F3N2O5S and a molecular weight of 480.46 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24560631
Molecular FormulaC22H19F3N2O5S
Molecular Weight480.46 g/mol
Exact Mass480.10
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H19F3N2O5S/c1-31-18-10-8-17(9-11-18)27-33(29,30)19-12-6-15(7-13-19)21(28)26-14-16-4-2-3-5-20(16)32-22(23,24)25/h2-13,27H,14H2,1H3,(H,26,28)
InChIKeyYRTZOUOUOBRGKE-UHFFFAOYSA-N
XLogP4.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 30254086
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463396
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24560631) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YRTZOUOUOBRGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O5S/c1-31-18-10-8-17(9-11-18)27-33(29,30)19-12-6-15(7-13-19)21(28)26-14-16-4-2-3-5-20(16)32-22(23,24)25/h2-13,27H,14H2,1H3,(H,26,28).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 480.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24560631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).