6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane

C18H19ClN2O2S — CID 128778538

IUPAC6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane
SMILESO=S(=O)(c1cncc(Cl)c1)N1CC(c2ccccc2)C2(CCC2)C1
InChIInChI=1S/C18H19ClN2O2S/c19-15-9-16(11-20-10-15)24(22,23)21-12-17(14-5-2-1-3-6-14)18(13-21)7-4-8-18/h1-3,5-6,9-11,17H,4,7-8,12-13H2
InChIKeyKZXYIHZBMYMIKY-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.69
Rot. Bonds3

About 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane

6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane (PubChem CID 128778538) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane
PubChem CID128778538
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane
SMILESO=S(=O)(c1cncc(Cl)c1)N1CC(c2ccccc2)C2(CCC2)C1
InChIInChI=1S/C18H19ClN2O2S/c19-15-9-16(11-20-10-15)24(22,23)21-12-17(14-5-2-1-3-6-14)18(13-21)7-4-8-18/h1-3,5-6,9-11,17H,4,7-8,12-13H2
InChIKeyKZXYIHZBMYMIKY-UHFFFAOYSA-N
XLogP3.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(5-chloro-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766635
(3aS,6aR)-2-[(5-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679318
(3S,4S)-1-[(5-chloro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122104031
[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120777344
2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 97326823
(3S,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766733
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
[(3R,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120765940
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781786
8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-(3-methylphenyl)sulfonyl-6-azaspiro[3.4]octane
CID 155882306
1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
CID 75432386
3-(4-methylphenyl)sulfonyl-6-phenyl-3-azabicyclo[3.1.0]hexane-1-carbaldehyde
CID 162367534

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane?
The IUPAC name of 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane (CID 128778538) is 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane?
The canonical SMILES for 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane is O=S(=O)(c1cncc(Cl)c1)N1CC(c2ccccc2)C2(CCC2)C1.
What is the InChIKey of 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane?
The InChIKey is KZXYIHZBMYMIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-15-9-16(11-20-10-15)24(22,23)21-12-17(14-5-2-1-3-6-14)18(13-21)7-4-8-18/h1-3,5-6,9-11,17H,4,7-8,12-13H2.
What are the key properties of 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane?
6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane has a molecular weight of 362.88 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-pyridinyl)sulfonyl]-8-phenyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 128778538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).