1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol

C13H13ClN2O3S — CID 83224224

IUPAC1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol
SMILESCc1cc2cccc(S(=O)(=O)N3CC(O)C3)c2nc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-8-5-9-3-2-4-11(12(9)15-13(8)14)20(18,19)16-6-10(17)7-16/h2-5,10,17H,6-7H2,1H3
InChIKeyGSSUAKVWLXQOCV-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.56
Rot. Bonds2

About 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol

1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol (PubChem CID 83224224) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol
PubChem CID83224224
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol
SMILESCc1cc2cccc(S(=O)(=O)N3CC(O)C3)c2nc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-8-5-9-3-2-4-11(12(9)15-13(8)14)20(18,19)16-6-10(17)7-16/h2-5,10,17H,6-7H2,1H3
InChIKeyGSSUAKVWLXQOCV-UHFFFAOYSA-N
XLogP1.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol (CID 83224224) is 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol is Cc1cc2cccc(S(=O)(=O)N3CC(O)C3)c2nc1Cl.
What is the InChIKey of 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol?
The InChIKey is GSSUAKVWLXQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-8-5-9-3-2-4-11(12(9)15-13(8)14)20(18,19)16-6-10(17)7-16/h2-5,10,17H,6-7H2,1H3.
What are the key properties of 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol?
1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol has a molecular weight of 312.78 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol is sourced from PubChem (CID 83224224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).