(5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate

C14H14Cl2N2O3S — CID 11841639

IUPAC(5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate
SMILESO=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1
InChIInChI=1S/C14H14Cl2N2O3S/c15-11-9-12(16)14(13-10(11)5-4-6-17-13)21-22(19,20)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2
InChIKeyINXBEXRKXYBLGL-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.65
Rot. Bonds3

About (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate

(5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate (PubChem CID 11841639) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate
PubChem CID11841639
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name(5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate
SMILESO=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1
InChIInChI=1S/C14H14Cl2N2O3S/c15-11-9-12(16)14(13-10(11)5-4-6-17-13)21-22(19,20)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2
InChIKeyINXBEXRKXYBLGL-UHFFFAOYSA-N
XLogP3.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate (CID 11841639) is (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate is O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate?
The InChIKey is INXBEXRKXYBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c15-11-9-12(16)14(13-10(11)5-4-6-17-13)21-22(19,20)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2.
What are the key properties of (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate?
(5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate has a molecular weight of 361.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) piperidine-1-sulfonate is sourced from PubChem (CID 11841639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).