8-chloroquinoline-5-sulfonic acid

C9H6ClNO3S — CID 19007116

IUPAC8-chloroquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C9H6ClNO3S/c10-7-3-4-8(15(12,13)14)6-2-1-5-11-9(6)7/h1-5H,(H,12,13,14)
InChIKeyTXBLHYILYDBBFJ-UHFFFAOYSA-N
MW243.67 g/mol
LogP2.13
Rot. Bonds1

About 8-chloroquinoline-5-sulfonic acid

8-chloroquinoline-5-sulfonic acid (PubChem CID 19007116) has the molecular formula C9H6ClNO3S and a molecular weight of 243.67 g/mol. Its IUPAC name is 8-chloroquinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-chloroquinoline-5-sulfonic acid
PubChem CID19007116
Molecular FormulaC9H6ClNO3S
Molecular Weight243.67 g/mol
Exact Mass242.98
IUPAC Name8-chloroquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C9H6ClNO3S/c10-7-3-4-8(15(12,13)14)6-2-1-5-11-9(6)7/h1-5H,(H,12,13,14)
InChIKeyTXBLHYILYDBBFJ-UHFFFAOYSA-N
XLogP2.13
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

8-Chloroquinoline
CID 69139
Quinoline-5-sulfonamide
CID 21876443
3-[(6-Chloroquinolin-4-yl)amino]benzenesulfonamide
CID 168277029
4-Chloroquinoline-6-sulfonyl chloride
CID 87410430
5-Quinolinesulfonic acid
CID 90048
8-Sulfanylquinoline-5-sulfonic acid
CID 186870
5-chloroquinoline-8-sulfonyl Chloride
CID 4206949
Quinoline-4-sulfonic Acid
CID 4462285
4-Chloroquinoline-8-sulfonyl chloride
CID 12405878
8-Chloroquinoline-5-sulfonyl chloride
CID 16228939
8-Fluoroquinoline-5-sulfonyl chloride
CID 43423271
7-Quinolinesulfonyl chloride
CID 55280760

Frequently Asked Questions

What is the IUPAC name of 8-chloroquinoline-5-sulfonic acid?
The IUPAC name of 8-chloroquinoline-5-sulfonic acid (CID 19007116) is 8-chloroquinoline-5-sulfonic acid.
What is the SMILES notation for 8-chloroquinoline-5-sulfonic acid?
The canonical SMILES for 8-chloroquinoline-5-sulfonic acid is O=S(=O)(O)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloroquinoline-5-sulfonic acid?
The InChIKey is TXBLHYILYDBBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3S/c10-7-3-4-8(15(12,13)14)6-2-1-5-11-9(6)7/h1-5H,(H,12,13,14).
What are the key properties of 8-chloroquinoline-5-sulfonic acid?
8-chloroquinoline-5-sulfonic acid has a molecular weight of 243.67 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroquinoline-5-sulfonic acid is sourced from PubChem (CID 19007116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).