6-chloroquinoline-3-sulfonamide

C9H7ClN2O2S — CID 86767843

IUPAC6-chloroquinoline-3-sulfonamide
SMILESNS(=O)(=O)c1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C9H7ClN2O2S/c10-7-1-2-9-6(3-7)4-8(5-12-9)15(11,13)14/h1-5H,(H2,11,13,14)
InChIKeyHEPPYWUNAFDMBT-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.54
Rot. Bonds1

About 6-chloroquinoline-3-sulfonamide

6-chloroquinoline-3-sulfonamide (PubChem CID 86767843) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 6-chloroquinoline-3-sulfonamide.

Molecular Properties

Compound Name6-chloroquinoline-3-sulfonamide
PubChem CID86767843
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name6-chloroquinoline-3-sulfonamide
SMILESNS(=O)(=O)c1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C9H7ClN2O2S/c10-7-1-2-9-6(3-7)4-8(5-12-9)15(11,13)14/h1-5H,(H2,11,13,14)
InChIKeyHEPPYWUNAFDMBT-UHFFFAOYSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloroquinoline
CID 69163
8-Chloroquinoline
CID 69139
8-Quinolinesulfonamide
CID 94464
4-Chloroquinoline
CID 69140
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
8-Quinolinesulfonyl chloride
CID 29220
4,6-Dichloroquinoline
CID 936075
6-Chloroquinolin-4-amine
CID 601400
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 1236939
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
N-allyl-N-phenylquinoline-8-sulfonamide
CID 6621373
N-(4-chlorobenzyl)quinoline-8-sulfonamide
CID 16195529

Frequently Asked Questions

What is the IUPAC name of 6-chloroquinoline-3-sulfonamide?
The IUPAC name of 6-chloroquinoline-3-sulfonamide (CID 86767843) is 6-chloroquinoline-3-sulfonamide.
What is the SMILES notation for 6-chloroquinoline-3-sulfonamide?
The canonical SMILES for 6-chloroquinoline-3-sulfonamide is NS(=O)(=O)c1cnc2ccc(Cl)cc2c1.
What is the InChIKey of 6-chloroquinoline-3-sulfonamide?
The InChIKey is HEPPYWUNAFDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-7-1-2-9-6(3-7)4-8(5-12-9)15(11,13)14/h1-5H,(H2,11,13,14).
What are the key properties of 6-chloroquinoline-3-sulfonamide?
6-chloroquinoline-3-sulfonamide has a molecular weight of 242.69 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroquinoline-3-sulfonamide is sourced from PubChem (CID 86767843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).