5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C17H17F3N2O3S — CID 51166535

IUPAC5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H17F3N2O3S/c1-12-7-8-14(9-15(12)16(23)21-11-17(18,19)20)26(24,25)22-10-13-5-3-2-4-6-13/h2-9,22H,10-11H2,1H3,(H,21,23)
InChIKeyYEXUHVFLVWEBNO-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.77
Rot. Bonds6

About 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51166535) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51166535
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H17F3N2O3S/c1-12-7-8-14(9-15(12)16(23)21-11-17(18,19)20)26(24,25)22-10-13-5-3-2-4-6-13/h2-9,22H,10-11H2,1H3,(H,21,23)
InChIKeyYEXUHVFLVWEBNO-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 51166535) is 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YEXUHVFLVWEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-12-7-8-14(9-15(12)16(23)21-11-17(18,19)20)26(24,25)22-10-13-5-3-2-4-6-13/h2-9,22H,10-11H2,1H3,(H,21,23).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 386.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51166535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).