1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide

C8H17F2NO3S — CID 103896541

IUPAC1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-8(2,4-3-5-12)6-11-15(13,14)7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyRTPRKWXTNDWRLE-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.93
Rot. Bonds7

About 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide

1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide (PubChem CID 103896541) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide
PubChem CID103896541
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC Name1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-8(2,4-3-5-12)6-11-15(13,14)7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyRTPRKWXTNDWRLE-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.93
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-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide (CID 103896541) is 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide is CC(C)(CCCO)CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide?
The InChIKey is RTPRKWXTNDWRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3S/c1-8(2,4-3-5-12)6-11-15(13,14)7(9)10/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide?
1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide has a molecular weight of 245.29 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide is sourced from PubChem (CID 103896541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).