5-methoxyquinoline-8-sulfonyl chloride

C10H8ClNO3S — CID 86231454

IUPAC5-methoxyquinoline-8-sulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)10-7(8)3-2-6-12-10/h2-6H,1H3
InChIKeyHVQGEXUGTNNNQU-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.17
Rot. Bonds2

About 5-methoxyquinoline-8-sulfonyl chloride

5-methoxyquinoline-8-sulfonyl chloride (PubChem CID 86231454) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 5-methoxyquinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name5-methoxyquinoline-8-sulfonyl chloride
PubChem CID86231454
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name5-methoxyquinoline-8-sulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)10-7(8)3-2-6-12-10/h2-6H,1H3
InChIKeyHVQGEXUGTNNNQU-UHFFFAOYSA-N
XLogP2.17
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyquinoline-8-sulfonyl chloride?
The IUPAC name of 5-methoxyquinoline-8-sulfonyl chloride (CID 86231454) is 5-methoxyquinoline-8-sulfonyl chloride.
What is the SMILES notation for 5-methoxyquinoline-8-sulfonyl chloride?
The canonical SMILES for 5-methoxyquinoline-8-sulfonyl chloride is COc1ccc(S(=O)(=O)Cl)c2ncccc12.
What is the InChIKey of 5-methoxyquinoline-8-sulfonyl chloride?
The InChIKey is HVQGEXUGTNNNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)10-7(8)3-2-6-12-10/h2-6H,1H3.
What are the key properties of 5-methoxyquinoline-8-sulfonyl chloride?
5-methoxyquinoline-8-sulfonyl chloride has a molecular weight of 257.70 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyquinoline-8-sulfonyl chloride is sourced from PubChem (CID 86231454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).