N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide

C9H19F2NO4S — CID 107483600

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H19F2NO4S/c1-8(2)16-5-6-17(14,15)12(3-4-13)7-9(10)11/h8-9,13H,3-7H2,1-2H3
InChIKeyHZIGQXKKHWGONN-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.30
Rot. Bonds9

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 107483600) has the molecular formula C9H19F2NO4S and a molecular weight of 275.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID107483600
Molecular FormulaC9H19F2NO4S
Molecular Weight275.32 g/mol
Exact Mass275.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H19F2NO4S/c1-8(2)16-5-6-17(14,15)12(3-4-13)7-9(10)11/h8-9,13H,3-7H2,1-2H3
InChIKeyHZIGQXKKHWGONN-UHFFFAOYSA-N
XLogP0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide 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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492779
2-(3-aminophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 107478035
N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
N-cyclopentyl-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593960
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide
CID 107483491
3-[2-methylpropyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
CID 79600343
N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
CID 79600959
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
CID 107493803
N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594432
2-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]amino]-2-methylpropane
CID 107483602

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide (CID 107483600) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is HZIGQXKKHWGONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO4S/c1-8(2)16-5-6-17(14,15)12(3-4-13)7-9(10)11/h8-9,13H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 275.32 g/mol, XLogP of 0.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 107483600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).