N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide

C6H13F2NO4S — CID 103731725

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C6H13F2NO4S/c1-13-2-3-14(11,12)9-4-5(10)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyNPIHFXCZOHPXBS-UHFFFAOYSA-N
MW233.24 g/mol
LogP-0.82
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide (PubChem CID 103731725) has the molecular formula C6H13F2NO4S and a molecular weight of 233.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide
PubChem CID103731725
Molecular FormulaC6H13F2NO4S
Molecular Weight233.24 g/mol
Exact Mass233.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C6H13F2NO4S/c1-13-2-3-14(11,12)9-4-5(10)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyNPIHFXCZOHPXBS-UHFFFAOYSA-N
XLogP-0.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide 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-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
CID 39237442
1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 88174769
1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxypropyl)-1-butanesulfonamide
CID 118595006
2-Hydroxy-1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propane-1-sulfonic acid
CID 155619022
2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide
CID 156771285
2-(Trifluoromethylsulfonylamino)ethyl propane-1-sulfonate
CID 169717503
2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide
CID 174332273
Dimethyl ammonio-2-hydroxyl-1-propane sulfonate
CID 129849176
1,1,1-trifluoro-N-(2-hydroxypropyl)methanesulfonamide
CID 43502308
1,1-difluoro-N-(2-hydroxypropyl)methanesulfonamide
CID 43502321
1,1-difluoro-N-(2-hydroxy-3-methoxypropyl)methanesulfonamide
CID 64285128
1-hydroxy-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
CID 65740538

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide (CID 103731725) is N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide?
The InChIKey is NPIHFXCZOHPXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO4S/c1-13-2-3-14(11,12)9-4-5(10)6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide has a molecular weight of 233.24 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 103731725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).