2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide

C20H14F2N4O3S — CID 175576914

IUPAC2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide
SMILESCOc1ccc2c(-c3ccnnc3)c(NS(=O)(=O)c3ccc(F)cc3F)ccc2n1
InChIInChI=1S/C20H14F2N4O3S/c1-29-19-7-3-14-16(25-19)4-5-17(20(14)12-8-9-23-24-11-12)26-30(27,28)18-6-2-13(21)10-15(18)22/h2-11,26H,1H3
InChIKeyKYEPPWWFAMQMNM-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.78
Rot. Bonds5

About 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide

2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide (PubChem CID 175576914) has the molecular formula C20H14F2N4O3S and a molecular weight of 428.42 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide
PubChem CID175576914
Molecular FormulaC20H14F2N4O3S
Molecular Weight428.42 g/mol
Exact Mass428.08
IUPAC Name2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide
SMILESCOc1ccc2c(-c3ccnnc3)c(NS(=O)(=O)c3ccc(F)cc3F)ccc2n1
InChIInChI=1S/C20H14F2N4O3S/c1-29-19-7-3-14-16(25-19)4-5-17(20(14)12-8-9-23-24-11-12)26-30(27,28)18-6-2-13(21)10-15(18)22/h2-11,26H,1H3
InChIKeyKYEPPWWFAMQMNM-UHFFFAOYSA-N
XLogP3.78
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-difluoro-N-[2-(hydroxymethyl)-5-(4-pyridazin-4-ylquinolin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 153496424
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]-2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-amine
CID 162510947
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2,4-difluoro-N-[6-[4-[6-(hydroxymethyl)-3-pyridinyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 176816811
2,4-difluoro-N-[2-methoxy-5-[2-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-3-pyridinyl]benzenesulfonamide
CID 71531936
N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66800685
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71531982
2,4-difluoro-N-[5-(4-fluoro-1-oxo-2H-isoquinolin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171469
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide (CID 175576914) is 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide is COc1ccc2c(-c3ccnnc3)c(NS(=O)(=O)c3ccc(F)cc3F)ccc2n1.
What is the InChIKey of 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide?
The InChIKey is KYEPPWWFAMQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S/c1-29-19-7-3-14-16(25-19)4-5-17(20(14)12-8-9-23-24-11-12)26-30(27,28)18-6-2-13(21)10-15(18)22/h2-11,26H,1H3.
What are the key properties of 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide?
2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide has a molecular weight of 428.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methoxy-5-pyridazin-4-ylquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 175576914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).