2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide

C13H16F5NO2S — CID 166329949

IUPAC2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C13H16F5NO2S/c1-4-5-19(8(2)3)22(20,21)12-10(14)6-9(7-11(12)15)13(16,17)18/h6-8H,4-5H2,1-3H3
InChIKeyTYCXUMIGDRRXMG-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.79
Rot. Bonds5

About 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide

2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 166329949) has the molecular formula C13H16F5NO2S and a molecular weight of 345.33 g/mol. Its IUPAC name is 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID166329949
Molecular FormulaC13H16F5NO2S
Molecular Weight345.33 g/mol
Exact Mass345.08
IUPAC Name2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C13H16F5NO2S/c1-4-5-19(8(2)3)22(20,21)12-10(14)6-9(7-11(12)15)13(16,17)18/h6-8H,4-5H2,1-3H3
InChIKeyTYCXUMIGDRRXMG-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide 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

3-[propan-2-yl-(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 60971330
4-amino-N-(2-cyanoethyl)-2,6-difluoro-N-propan-2-ylbenzenesulfonamide
CID 60985893
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 43269326
4-chloro-3-(chloromethyl)-5-fluoro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 81457118
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzenecarbothioamide
CID 63288509
2-[[2,6-difluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 167791905
2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43383281
1-[2,6-difluoro-4-(trifluoromethyl)phenyl]ethyl methanesulfonate
CID 122575203
N-(2-cyanoethyl)-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide
CID 51109256
3-amino-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107325659
2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 166295530
2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 75471853

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide (CID 166329949) is 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is TYCXUMIGDRRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO2S/c1-4-5-19(8(2)3)22(20,21)12-10(14)6-9(7-11(12)15)13(16,17)18/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166329949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).