8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide

C16H14ClN3O2S — CID 78893886

IUPAC8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H14ClN3O2S/c17-14-5-6-15(13-4-2-9-19-16(13)14)23(21,22)20-10-7-12-3-1-8-18-11-12/h1-6,8-9,11,20H,7,10H2
InChIKeyDEVLIYJHUFBPBG-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.80
Rot. Bonds5

About 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide

8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide (PubChem CID 78893886) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
PubChem CID78893886
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H14ClN3O2S/c17-14-5-6-15(13-4-2-9-19-16(13)14)23(21,22)20-10-7-12-3-1-8-18-11-12/h1-6,8-9,11,20H,7,10H2
InChIKeyDEVLIYJHUFBPBG-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
CID 54156973
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide
CID 139744416
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
CID 97013728

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide?
The IUPAC name of 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide (CID 78893886) is 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide is O=S(=O)(NCCc1cccnc1)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide?
The InChIKey is DEVLIYJHUFBPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-14-5-6-15(13-4-2-9-19-16(13)14)23(21,22)20-10-7-12-3-1-8-18-11-12/h1-6,8-9,11,20H,7,10H2.
What are the key properties of 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide?
8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide has a molecular weight of 347.83 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide is sourced from PubChem (CID 78893886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).