N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide

C13H18F3NO3S — CID 70913386

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C13H18F3NO3S/c1-9-5-6-11(10(7-9)13(14,15)16)21(18,19)17-12(2,3)8-20-4/h5-7,17H,8H2,1-4H3
InChIKeyPKXAHSSYGILKJC-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.72
Rot. Bonds5

About N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 70913386) has the molecular formula C13H18F3NO3S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID70913386
Molecular FormulaC13H18F3NO3S
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C13H18F3NO3S/c1-9-5-6-11(10(7-9)13(14,15)16)21(18,19)17-12(2,3)8-20-4/h5-7,17H,8H2,1-4H3
InChIKeyPKXAHSSYGILKJC-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 70913386) is N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide is COCC(C)(C)NS(=O)(=O)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PKXAHSSYGILKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3S/c1-9-5-6-11(10(7-9)13(14,15)16)21(18,19)17-12(2,3)8-20-4/h5-7,17H,8H2,1-4H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 325.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 70913386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).