2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide

C6H13F2NO3S — CID 174332273

IUPAC2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide
SMILESCC(F)(F)CS(=O)(=O)NCCCO
InChIInChI=1S/C6H13F2NO3S/c1-6(7,8)5-13(11,12)9-3-2-4-10/h9-10H,2-5H2,1H3
InChIKeyZVQDZKJIQHOSEJ-UHFFFAOYSA-N
MW217.24 g/mol
LogP-0.06
Rot. Bonds6

About 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide

2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide (PubChem CID 174332273) has the molecular formula C6H13F2NO3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide
PubChem CID174332273
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC Name2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide
SMILESCC(F)(F)CS(=O)(=O)NCCCO
InChIInChI=1S/C6H13F2NO3S/c1-6(7,8)5-13(11,12)9-3-2-4-10/h9-10H,2-5H2,1H3
InChIKeyZVQDZKJIQHOSEJ-UHFFFAOYSA-N
XLogP-0.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide?
The IUPAC name of 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide (CID 174332273) is 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide.
What is the SMILES notation for 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide?
The canonical SMILES for 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide is CC(F)(F)CS(=O)(=O)NCCCO.
What is the InChIKey of 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide?
The InChIKey is ZVQDZKJIQHOSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-6(7,8)5-13(11,12)9-3-2-4-10/h9-10H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide?
2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide has a molecular weight of 217.24 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-hydroxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 174332273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).