3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide

C8H16ClF2NO3S — CID 107483904

IUPAC3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16ClF2NO3S/c1-7(4-9)6-16(14,15)12(2-3-13)5-8(10)11/h7-8,13H,2-6H2,1H3
InChIKeyDNPSAXAFPVBARQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP0.75
Rot. Bonds8

About 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide (PubChem CID 107483904) has the molecular formula C8H16ClF2NO3S and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
PubChem CID107483904
Molecular FormulaC8H16ClF2NO3S
Molecular Weight279.74 g/mol
Exact Mass279.05
IUPAC Name3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16ClF2NO3S/c1-7(4-9)6-16(14,15)12(2-3-13)5-8(10)11/h7-8,13H,2-6H2,1H3
InChIKeyDNPSAXAFPVBARQ-UHFFFAOYSA-N
XLogP0.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-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-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide (CID 107483904) is 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide?
The InChIKey is DNPSAXAFPVBARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClF2NO3S/c1-7(4-9)6-16(14,15)12(2-3-13)5-8(10)11/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide has a molecular weight of 279.74 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 107483904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).