N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

C7H15F2NO3S — CID 79386798

IUPACN-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-4-10(5-7(2,3)11)14(12,13)6(8)9/h6,11H,4-5H2,1-3H3
InChIKeySTDKDSMLJHLRME-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.63
Rot. Bonds5

About N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 79386798) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID79386798
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC NameN-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-4-10(5-7(2,3)11)14(12,13)6(8)9/h6,11H,4-5H2,1-3H3
InChIKeySTDKDSMLJHLRME-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (CID 79386798) is N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is STDKDSMLJHLRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-4-10(5-7(2,3)11)14(12,13)6(8)9/h6,11H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 79386798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).