N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide

C7H15F2NO3S — CID 65112823

IUPACN-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-3-7(11,4-2)5-10-14(12,13)6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyIWUYZESLNDMEQI-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.68
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide

N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide (PubChem CID 65112823) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide
PubChem CID65112823
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-3-7(11,4-2)5-10-14(12,13)6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyIWUYZESLNDMEQI-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide (CID 65112823) is N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide is CCC(O)(CC)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is IWUYZESLNDMEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-3-7(11,4-2)5-10-14(12,13)6(8)9/h6,10-11H,3-5H2,1-2H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide?
N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 65112823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).