N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide

C8H17F2NO3S — CID 103835117

IUPACN-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-3-6(4-2)7(12)5-11-15(13,14)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyGSQVJLJRIYIPLS-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.93
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide

N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide (PubChem CID 103835117) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide
PubChem CID103835117
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-3-6(4-2)7(12)5-11-15(13,14)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyGSQVJLJRIYIPLS-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 N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide (CID 103835117) is N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide is CCC(CC)C(O)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is GSQVJLJRIYIPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3S/c1-3-6(4-2)7(12)5-11-15(13,14)8(9)10/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide?
N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide 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 N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 103835117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).