2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide

C14H10ClN3O2S — CID 24621400

IUPAC2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1cccnc1Cl
InChIInChI=1S/C14H10ClN3O2S/c15-14-12(7-3-9-17-14)21(19,20)18-11-6-1-4-10-5-2-8-16-13(10)11/h1-9,18H
InChIKeyXWXSNVSJZSHLDB-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide

2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide (PubChem CID 24621400) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
PubChem CID24621400
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1cccnc1Cl
InChIInChI=1S/C14H10ClN3O2S/c15-14-12(7-3-9-17-14)21(19,20)18-11-6-1-4-10-5-2-8-16-13(10)11/h1-9,18H
InChIKeyXWXSNVSJZSHLDB-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

2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466436
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
CID 126516495
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide
CID 171466452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide (CID 24621400) is 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide is O=S(=O)(Nc1cccc2cccnc12)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide?
The InChIKey is XWXSNVSJZSHLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-14-12(7-3-9-17-14)21(19,20)18-11-6-1-4-10-5-2-8-16-13(10)11/h1-9,18H.
What are the key properties of 2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide?
2-chloro-N-quinolin-8-ylpyridine-3-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-quinolin-8-ylpyridine-3-sulfonamide is sourced from PubChem (CID 24621400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).