1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide

C7H13F2NO3S — CID 65113284

IUPAC1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)C(F)F
InChIInChI=1S/C7H13F2NO3S/c8-6(9)14(12,13)10-5-7(11)3-1-2-4-7/h6,10-11H,1-5H2
InChIKeyGIARASXQBNVIJH-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.43
Rot. Bonds4

About 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide

1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide (PubChem CID 65113284) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
PubChem CID65113284
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)C(F)F
InChIInChI=1S/C7H13F2NO3S/c8-6(9)14(12,13)10-5-7(11)3-1-2-4-7/h6,10-11H,1-5H2
InChIKeyGIARASXQBNVIJH-UHFFFAOYSA-N
XLogP0.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide (CID 65113284) is 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide is O=S(=O)(NCC1(O)CCCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The InChIKey is GIARASXQBNVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c8-6(9)14(12,13)10-5-7(11)3-1-2-4-7/h6,10-11H,1-5H2.
What are the key properties of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide has a molecular weight of 229.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 65113284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).