N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide

C20H19FN4O2S — CID 113042478

IUPACN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C20H19FN4O2S/c1-14-12-17(21)6-7-18(14)28(26,27)24-19-8-9-20(23-22-19)25-11-10-15-4-2-3-5-16(15)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyWHJHHUHCVICQNG-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.29
Rot. Bonds4

About N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 113042478) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID113042478
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C20H19FN4O2S/c1-14-12-17(21)6-7-18(14)28(26,27)24-19-8-9-20(23-22-19)25-11-10-15-4-2-3-5-16(15)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyWHJHHUHCVICQNG-UHFFFAOYSA-N
XLogP3.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113042471
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113042480
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110371057
6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 133422395
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042446
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 113042478) is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is WHJHHUHCVICQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-14-12-17(21)6-7-18(14)28(26,27)24-19-8-9-20(23-22-19)25-11-10-15-4-2-3-5-16(15)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 398.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 113042478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).