1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide

C6H13F2NO3S — CID 115747194

IUPAC1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide
SMILESCCC(O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-2-5(10)3-4-9-13(11,12)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyNYFWGLGZRCGXDG-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.29
Rot. Bonds6

About 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide

1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide (PubChem CID 115747194) has the molecular formula C6H13F2NO3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide
PubChem CID115747194
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC Name1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide
SMILESCCC(O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-2-5(10)3-4-9-13(11,12)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyNYFWGLGZRCGXDG-UHFFFAOYSA-N
XLogP0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106286744
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
N-(3-hydroxypentyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 113497699
ethyl 2-(difluoromethylsulfonylamino)acetate
CID 60816614
(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
CID 103796232
2-(3-hydroxypentylamino)acetic acid
CID 91143486
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide (CID 115747194) is 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide is CCC(O)CCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide?
The InChIKey is NYFWGLGZRCGXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-2-5(10)3-4-9-13(11,12)6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide?
1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide has a molecular weight of 217.24 g/mol, XLogP of 0.29, 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-(3-hydroxypentyl)methanesulfonamide is sourced from PubChem (CID 115747194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).