1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide

C5H9F2NO4S — CID 130831677

IUPAC1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
SMILESO=S(=O)(NC1COCC1O)C(F)F
InChIInChI=1S/C5H9F2NO4S/c6-5(7)13(10,11)8-3-1-12-2-4(3)9/h3-5,8-9H,1-2H2
InChIKeyHORUKTWBXWSSRA-UHFFFAOYSA-N
MW217.19 g/mol
LogP-1.11
Rot. Bonds3

About 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide

1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide (PubChem CID 130831677) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
PubChem CID130831677
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Name1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
SMILESO=S(=O)(NC1COCC1O)C(F)F
InChIInChI=1S/C5H9F2NO4S/c6-5(7)13(10,11)8-3-1-12-2-4(3)9/h3-5,8-9H,1-2H2
InChIKeyHORUKTWBXWSSRA-UHFFFAOYSA-N
XLogP-1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide 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

1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130696836
N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196244
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
CID 67196245
trans-N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196247
N-(4-hydroxyoxolan-3-yl)cyclopropanesulfonamide
CID 126991299
1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130623589
N-[(3R,4S)-4-hydroxyoxolan-3-yl]cyclopropanesulfonamide
CID 130638996
N-(4-hydroxyoxolan-3-yl)methanesulfinamide
CID 130680333
N-(4-hydroxyoxolan-3-yl)ethanesulfonamide
CID 130686140
N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfinamide
CID 130690732
N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130719110
N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130751513

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide (CID 130831677) is 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide is O=S(=O)(NC1COCC1O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
The InChIKey is HORUKTWBXWSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c6-5(7)13(10,11)8-3-1-12-2-4(3)9/h3-5,8-9H,1-2H2.
What are the key properties of 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide has a molecular weight of 217.19 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 130831677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).