3-chloroquinoline-5-sulfonyl chloride

C9H5Cl2NO2S — CID 118997328

IUPAC3-chloroquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2ncc(Cl)cc12
InChIInChI=1S/C9H5Cl2NO2S/c10-6-4-7-8(12-5-6)2-1-3-9(7)15(11,13)14/h1-5H
InChIKeyJJAMZNOYZWZISA-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.82
Rot. Bonds1

About 3-chloroquinoline-5-sulfonyl chloride

3-chloroquinoline-5-sulfonyl chloride (PubChem CID 118997328) has the molecular formula C9H5Cl2NO2S and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-chloroquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name3-chloroquinoline-5-sulfonyl chloride
PubChem CID118997328
Molecular FormulaC9H5Cl2NO2S
Molecular Weight262.12 g/mol
Exact Mass260.94
IUPAC Name3-chloroquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2ncc(Cl)cc12
InChIInChI=1S/C9H5Cl2NO2S/c10-6-4-7-8(12-5-6)2-1-3-9(7)15(11,13)14/h1-5H
InChIKeyJJAMZNOYZWZISA-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloroquinoline-5-sulfonyl chloride?
The IUPAC name of 3-chloroquinoline-5-sulfonyl chloride (CID 118997328) is 3-chloroquinoline-5-sulfonyl chloride.
What is the SMILES notation for 3-chloroquinoline-5-sulfonyl chloride?
The canonical SMILES for 3-chloroquinoline-5-sulfonyl chloride is O=S(=O)(Cl)c1cccc2ncc(Cl)cc12.
What is the InChIKey of 3-chloroquinoline-5-sulfonyl chloride?
The InChIKey is JJAMZNOYZWZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2S/c10-6-4-7-8(12-5-6)2-1-3-9(7)15(11,13)14/h1-5H.
What are the key properties of 3-chloroquinoline-5-sulfonyl chloride?
3-chloroquinoline-5-sulfonyl chloride has a molecular weight of 262.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroquinoline-5-sulfonyl chloride is sourced from PubChem (CID 118997328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).