N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide

C26H19ClN4O2S — CID 59859963

IUPACN-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl
InChIInChI=1S/C26H19ClN4O2S/c1-17-4-2-3-5-25(17)34(32,33)31-24-15-20(16-30-26(24)27)19-6-7-23-22(14-19)21(10-13-29-23)18-8-11-28-12-9-18/h2-16,31H,1H3
InChIKeyQEHUGYJEKIGMJO-UHFFFAOYSA-N
MW486.98 g/mol
LogP6.12
Rot. Bonds5

About N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide

N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 59859963) has the molecular formula C26H19ClN4O2S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID59859963
Molecular FormulaC26H19ClN4O2S
Molecular Weight486.98 g/mol
Exact Mass486.09
IUPAC NameN-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl
InChIInChI=1S/C26H19ClN4O2S/c1-17-4-2-3-5-25(17)34(32,33)31-24-15-20(16-30-26(24)27)19-6-7-23-22(14-19)21(10-13-29-23)18-8-11-28-12-9-18/h2-16,31H,1H3
InChIKeyQEHUGYJEKIGMJO-UHFFFAOYSA-N
XLogP6.12
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860011
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
CID 25144376
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 25121265
2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860121
4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013
2,3-dimethyl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]imidazole-4-sulfonamide
CID 59859999
6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-4-[2-methoxyethyl(methyl)amino]quinoline
CID 58229472
2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860044
N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860008
3-(4-methylsulfonylpiperazin-1-yl)sulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
CID 59860238
6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 59860126
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide (CID 59859963) is N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl.
What is the InChIKey of N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is QEHUGYJEKIGMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O2S/c1-17-4-2-3-5-25(17)34(32,33)31-24-15-20(16-30-26(24)27)19-6-7-23-22(14-19)21(10-13-29-23)18-8-11-28-12-9-18/h2-16,31H,1H3.
What are the key properties of N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide?
N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 486.98 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 59859963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).