2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide

C7H12F2N2O2S — CID 134821824

IUPAC2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide
SMILESNS(=O)(=O)N1CCCC2(C1)CC2(F)F
InChIInChI=1S/C7H12F2N2O2S/c8-7(9)4-6(7)2-1-3-11(5-6)14(10,12)13/h1-5H2,(H2,10,12,13)
InChIKeyAOTCFHNSZPNDDV-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.31
Rot. Bonds1

About 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide

2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide (PubChem CID 134821824) has the molecular formula C7H12F2N2O2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide
PubChem CID134821824
Molecular FormulaC7H12F2N2O2S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide
SMILESNS(=O)(=O)N1CCCC2(C1)CC2(F)F
InChIInChI=1S/C7H12F2N2O2S/c8-7(9)4-6(7)2-1-3-11(5-6)14(10,12)13/h1-5H2,(H2,10,12,13)
InChIKeyAOTCFHNSZPNDDV-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide?
The IUPAC name of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide (CID 134821824) is 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide.
What is the SMILES notation for 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide?
The canonical SMILES for 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide is NS(=O)(=O)N1CCCC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide?
The InChIKey is AOTCFHNSZPNDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S/c8-7(9)4-6(7)2-1-3-11(5-6)14(10,12)13/h1-5H2,(H2,10,12,13).
What are the key properties of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide?
2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide has a molecular weight of 226.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonamide is sourced from PubChem (CID 134821824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).