1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide

C7H15F2NO3S — CID 103834315

IUPAC1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-5(2)3-6(11)4-10-14(12,13)7(8)9/h5-7,10-11H,3-4H2,1-2H3
InChIKeyLIJHDTAFSZLECF-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.54
Rot. Bonds6

About 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide

1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide (PubChem CID 103834315) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
PubChem CID103834315
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC Name1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-5(2)3-6(11)4-10-14(12,13)7(8)9/h5-7,10-11H,3-4H2,1-2H3
InChIKeyLIJHDTAFSZLECF-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.54
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-4-methylpentyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide (CID 103834315) is 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide is CC(C)CC(O)CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
The InChIKey is LIJHDTAFSZLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-5(2)3-6(11)4-10-14(12,13)7(8)9/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.54, 6 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-4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 103834315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).