2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C22H19F3N2O6S — CID 90466031

IUPAC2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C22H19F3N2O6S/c1-31-15-7-9-19(20(12-15)32-2)33-18-8-6-13(22(23,24)25)10-17(18)21(28)27-14-4-3-5-16(11-14)34(26,29)30/h3-12H,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyMNRMMRMQCIGRBU-UHFFFAOYSA-N
MW496.46 g/mol
LogP4.41
Rot. Bonds7

About 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90466031) has the molecular formula C22H19F3N2O6S and a molecular weight of 496.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90466031
Molecular FormulaC22H19F3N2O6S
Molecular Weight496.46 g/mol
Exact Mass496.09
IUPAC Name2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C22H19F3N2O6S/c1-31-15-7-9-19(20(12-15)32-2)33-18-8-6-13(22(23,24)25)10-17(18)21(28)27-14-4-3-5-16(11-14)34(26,29)30/h3-12H,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyMNRMMRMQCIGRBU-UHFFFAOYSA-N
XLogP4.41
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90466031) is 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is MNRMMRMQCIGRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O6S/c1-31-15-7-9-19(20(12-15)32-2)33-18-8-6-13(22(23,24)25)10-17(18)21(28)27-14-4-3-5-16(11-14)34(26,29)30/h3-12H,1-2H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 496.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).