3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C17H17F3N2O3S — CID 51166569

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11-6-7-15(12(2)8-11)22-26(24,25)14-5-3-4-13(9-14)16(23)21-10-17(18,19)20/h3-9,22H,10H2,1-2H3,(H,21,23)
InChIKeyMCGIOHIFEFFBST-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.40
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51166569) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51166569
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11-6-7-15(12(2)8-11)22-26(24,25)14-5-3-4-13(9-14)16(23)21-10-17(18,19)20/h3-9,22H,10H2,1-2H3,(H,21,23)
InChIKeyMCGIOHIFEFFBST-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 51166569) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MCGIOHIFEFFBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-11-6-7-15(12(2)8-11)22-26(24,25)14-5-3-4-13(9-14)16(23)21-10-17(18,19)20/h3-9,22H,10H2,1-2H3,(H,21,23).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51166569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).