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

C19H17FN4O2S — CID 113042471

IUPACN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCc3ccccc3C2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c20-16-5-7-17(8-6-16)27(25,26)23-18-9-10-19(22-21-18)24-12-11-14-3-1-2-4-15(14)13-24/h1-10H,11-13H2,(H,21,23)
InChIKeyXOHVRFXAXSUQQE-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.98
Rot. Bonds4

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

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 113042471) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID113042471
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCc3ccccc3C2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c20-16-5-7-17(8-6-16)27(25,26)23-18-9-10-19(22-21-18)24-12-11-14-3-1-2-4-15(14)13-24/h1-10H,11-13H2,(H,21,23)
InChIKeyXOHVRFXAXSUQQE-UHFFFAOYSA-N
XLogP2.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.98
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-fluoro-2-methylbenzenesulfonamide
CID 113042478
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113042480
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028143
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
4-chloro-N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028146
N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 2999131
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113046101
N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113043896
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042446

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide (CID 113042471) is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(N2CCc3ccccc3C2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is XOHVRFXAXSUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-16-5-7-17(8-6-16)27(25,26)23-18-9-10-19(22-21-18)24-12-11-14-3-1-2-4-15(14)13-24/h1-10H,11-13H2,(H,21,23).
What are the key properties of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 384.44 g/mol, XLogP of 2.98, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 113042471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).