3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C10H19ClF3NO2S — CID 79586363

IUPAC3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H19ClF3NO2S/c1-8(2)5-15(7-10(12,13)14)18(16,17)6-9(3)4-11/h8-9H,4-7H2,1-3H3
InChIKeyYAVUIWVEQCHFEQ-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.71
Rot. Bonds7

About 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 79586363) has the molecular formula C10H19ClF3NO2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID79586363
Molecular FormulaC10H19ClF3NO2S
Molecular Weight309.78 g/mol
Exact Mass309.08
IUPAC Name3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H19ClF3NO2S/c1-8(2)5-15(7-10(12,13)14)18(16,17)6-9(3)4-11/h8-9H,4-7H2,1-3H3
InChIKeyYAVUIWVEQCHFEQ-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide 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 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 79586363) is 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is YAVUIWVEQCHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO2S/c1-8(2)5-15(7-10(12,13)14)18(16,17)6-9(3)4-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 309.78 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 79586363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).