N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide

C12H17F2NO5S — CID 166223276

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C12H17F2NO5S/c1-19-9-5-10(20-2)7-11(6-9)21(17,18)15(3-4-16)8-12(13)14/h5-7,12,16H,3-4,8H2,1-2H3
InChIKeyHIQYBDSYAVOLFJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.95
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide (PubChem CID 166223276) has the molecular formula C12H17F2NO5S and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide
PubChem CID166223276
Molecular FormulaC12H17F2NO5S
Molecular Weight325.33 g/mol
Exact Mass325.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C12H17F2NO5S/c1-19-9-5-10(20-2)7-11(6-9)21(17,18)15(3-4-16)8-12(13)14/h5-7,12,16H,3-4,8H2,1-2H3
InChIKeyHIQYBDSYAVOLFJ-UHFFFAOYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide 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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide (CID 166223276) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide is COc1cc(OC)cc(S(=O)(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide?
The InChIKey is HIQYBDSYAVOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO5S/c1-19-9-5-10(20-2)7-11(6-9)21(17,18)15(3-4-16)8-12(13)14/h5-7,12,16H,3-4,8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide has a molecular weight of 325.33 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 166223276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).