2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide

C14H10ClN3O2S — CID 43456606

IUPAC2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C14H10ClN3O2S/c15-13-7-4-10-9-11(5-6-12(10)17-13)21(19,20)18-14-3-1-2-8-16-14/h1-9H,(H,16,18)
InChIKeyJQTXRHPKVYCLBR-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide

2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide (PubChem CID 43456606) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
PubChem CID43456606
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C14H10ClN3O2S/c15-13-7-4-10-9-11(5-6-12(10)17-13)21(19,20)18-14-3-1-2-8-16-14/h1-9H,(H,16,18)
InChIKeyJQTXRHPKVYCLBR-UHFFFAOYSA-N
XLogP3.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
CID 43540237
N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
CID 118579987
2-chloro-N-piperidin-1-ylquinoline-6-sulfonamide
CID 83017406
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide
CID 61217952
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide (CID 43456606) is 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide is O=S(=O)(Nc1ccccn1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide?
The InChIKey is JQTXRHPKVYCLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-13-7-4-10-9-11(5-6-12(10)17-13)21(19,20)18-14-3-1-2-8-16-14/h1-9H,(H,16,18).
What are the key properties of 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide?
2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide has a molecular weight of 319.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide is sourced from PubChem (CID 43456606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).