(1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide

C18H19F2N3O2S — CID 156736171

IUPAC(1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccccc3)ccn1)C2(F)F
InChIInChI=1S/C18H19F2N3O2S/c19-18(20)16(17(18)7-10-23(11-8-17)26(21,24)25)15-12-14(6-9-22-15)13-4-2-1-3-5-13/h1-6,9,12,16H,7-8,10-11H2,(H2,21,24,25)/t16-/m0/s1
InChIKeyOPNGXZAAMZYOTC-INIZCTEOSA-N
MW379.43 g/mol
LogP2.77
Rot. Bonds3

About (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide

(1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 156736171) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID156736171
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name(1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccccc3)ccn1)C2(F)F
InChIInChI=1S/C18H19F2N3O2S/c19-18(20)16(17(18)7-10-23(11-8-17)26(21,24)25)15-12-14(6-9-22-15)13-4-2-1-3-5-13/h1-6,9,12,16H,7-8,10-11H2,(H2,21,24,25)/t16-/m0/s1
InChIKeyOPNGXZAAMZYOTC-INIZCTEOSA-N
XLogP2.77
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide (CID 156736171) is (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccccc3)ccn1)C2(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is OPNGXZAAMZYOTC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c19-18(20)16(17(18)7-10-23(11-8-17)26(21,24)25)15-12-14(6-9-22-15)13-4-2-1-3-5-13/h1-6,9,12,16H,7-8,10-11H2,(H2,21,24,25)/t16-/m0/s1.
What are the key properties of (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
(1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 379.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 156736171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).