1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide

C7H15F2NO4S — CID 103834963

IUPAC1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO4S/c1-7(11,3-4-14-2)5-10-15(12,13)6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyBQADOPIBQYMSJB-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.08
Rot. Bonds7

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

1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide (PubChem CID 103834963) has the molecular formula C7H15F2NO4S and a molecular weight of 247.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
PubChem CID103834963
Molecular FormulaC7H15F2NO4S
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO4S/c1-7(11,3-4-14-2)5-10-15(12,13)6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyBQADOPIBQYMSJB-UHFFFAOYSA-N
XLogP-0.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
CID 106252817
3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
CID 103835023
2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 103835050
N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365904
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
1-(4-cyanophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 106252836

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide (CID 103834963) is 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide is COCCC(C)(O)CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide?
The InChIKey is BQADOPIBQYMSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO4S/c1-7(11,3-4-14-2)5-10-15(12,13)6(8)9/h6,10-11H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide?
1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide has a molecular weight of 247.26 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide is sourced from PubChem (CID 103834963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).