1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide

C6H13F2NO3S — CID 107271064

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

About 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide

1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide (PubChem CID 107271064) has the molecular formula C6H13F2NO3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide
PubChem CID107271064
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC Name1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide
SMILESCC(O)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-5(10)3-2-4-9-13(11,12)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyVJWBUAZAILLETO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-(1-hydroxybutyl)methanesulfonamide
CID 22364411
1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide
CID 54200622
1,1,1-trifluoro-N-(2-hydroxybutyl)methanesulfonamide
CID 116243376
lithium;hydride;1,1,1-trifluoro-N-(4-hydroxybutyl)methanesulfonamide
CID 175057873
1,1-difluoro-N-(2-hydroxypropyl)methanesulfonamide
CID 43502321
1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide
CID 64911431
1,1,1-trifluoro-N-(3-hydroxybutyl)methanesulfonamide
CID 64911640
1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66004826
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66005885
1,1-difluoro-N-(4-hydroxy-2-methylbutyl)methanesulfonamide
CID 66108008
1,1,1-trifluoro-N-(5-hydroxypentan-2-yl)methanesulfonamide
CID 80291270
1,1-difluoro-N-(5-hydroxypentan-2-yl)methanesulfonamide
CID 80291562

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide (CID 107271064) is 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide is CC(O)CCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide?
The InChIKey is VJWBUAZAILLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-5(10)3-2-4-9-13(11,12)6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide?
1,1-difluoro-N-(4-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-(4-hydroxypentyl)methanesulfonamide is sourced from PubChem (CID 107271064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).