2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C21H16ClF3N2O4S — CID 90465877

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16ClF3N2O4S/c1-12-9-14(22)6-8-18(12)31-19-7-5-13(21(23,24)25)10-17(19)20(28)27-15-3-2-4-16(11-15)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyVZFDHOXVBHNNKD-UHFFFAOYSA-N
MW484.88 g/mol
LogP5.36
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90465877) has the molecular formula C21H16ClF3N2O4S and a molecular weight of 484.88 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90465877
Molecular FormulaC21H16ClF3N2O4S
Molecular Weight484.88 g/mol
Exact Mass484.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16ClF3N2O4S/c1-12-9-14(22)6-8-18(12)31-19-7-5-13(21(23,24)25)10-17(19)20(28)27-15-3-2-4-16(11-15)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyVZFDHOXVBHNNKD-UHFFFAOYSA-N
XLogP5.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90465877) is 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is VZFDHOXVBHNNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O4S/c1-12-9-14(22)6-8-18(12)31-19-7-5-13(21(23,24)25)10-17(19)20(28)27-15-3-2-4-16(11-15)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 484.88 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90465877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).