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

C18H19F2N3O2S — CID 156736160

IUPAC(1S)-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-/m1/s1
InChIKeyOPNGXZAAMZYOTC-MRXNPFEDSA-N
MW379.43 g/mol
LogP2.77
Rot. Bonds3

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

(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 156736160) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID156736160
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name(1S)-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-/m1/s1
InChIKeyOPNGXZAAMZYOTC-MRXNPFEDSA-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

Analyze (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682050
(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021
4-pyridin-2-ylpiperidine-1-sulfonamide
CID 91607486
(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681952
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
1-(4-phenyl-2-pyridinyl)cyclopentan-1-amine
CID 115009403
(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 69281904
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
[1-(4-phenyl-2-pyridinyl)cyclobutyl]methanamine
CID 115009399
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
3-[2-[(3R)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-pyridinyl]benzoic acid
CID 124965145
azulene;sulfamide
CID 159505457

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide (CID 156736160) is (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1S)-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 (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is OPNGXZAAMZYOTC-MRXNPFEDSA-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-/m1/s1.
What are the key properties of (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide?
(1S)-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 (1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 156736160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).