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

C7H13F2NO4S — CID 104864876

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H13F2NO4S/c1-15(13,14)3-2-6(12)10-4-7(8,9)5-11/h11H,2-5H2,1H3,(H,10,12)
InChIKeyVYCQWJFTAJGKEB-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.84
Rot. Bonds6

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

N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide (PubChem CID 104864876) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide
PubChem CID104864876
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H13F2NO4S/c1-15(13,14)3-2-6(12)10-4-7(8,9)5-11/h11H,2-5H2,1H3,(H,10,12)
InChIKeyVYCQWJFTAJGKEB-UHFFFAOYSA-N
XLogP-0.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide (CID 104864876) is N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide?
The InChIKey is VYCQWJFTAJGKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-15(13,14)3-2-6(12)10-4-7(8,9)5-11/h11H,2-5H2,1H3,(H,10,12).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide has a molecular weight of 245.25 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 104864876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).