1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide

C6H13F2NO3S — CID 115754938

IUPAC1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-4(2)5(10)3-9-13(11,12)6(7)8/h4-6,9-10H,3H2,1-2H3
InChIKeyOJQQVEXXKLGUGB-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.15
Rot. Bonds5

About 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide

1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide (PubChem CID 115754938) has the molecular formula C6H13F2NO3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
PubChem CID115754938
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC Name1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-4(2)5(10)3-9-13(11,12)6(7)8/h4-6,9-10H,3H2,1-2H3
InChIKeyOJQQVEXXKLGUGB-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide (CID 115754938) is 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide is CC(C)C(O)CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide?
The InChIKey is OJQQVEXXKLGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-4(2)5(10)3-9-13(11,12)6(7)8/h4-6,9-10H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide?
1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide has a molecular weight of 217.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 115754938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).