N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C12H15F3N2O3S — CID 62046315

IUPACN,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c1-7-4-8(2)10(21(16,19)20)5-9(7)11(18)17(3)6-12(13,14)15/h4-5H,6H2,1-3H3,(H2,16,19,20)
InChIKeyFVBLAFUJNMMXIC-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.59
Rot. Bonds3

About N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62046315) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62046315
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c1-7-4-8(2)10(21(16,19)20)5-9(7)11(18)17(3)6-12(13,14)15/h4-5H,6H2,1-3H3,(H2,16,19,20)
InChIKeyFVBLAFUJNMMXIC-UHFFFAOYSA-N
XLogP1.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81480170
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
CID 102705736
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 163372580
5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65387477
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 62045621

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 62046315) is N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FVBLAFUJNMMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-7-4-8(2)10(21(16,19)20)5-9(7)11(18)17(3)6-12(13,14)15/h4-5H,6H2,1-3H3,(H2,16,19,20).
What are the key properties of N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 324.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62046315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).