N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide

C13H14N4O3S — CID 116787348

IUPACN-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)c2ccc3c(c2)NCCC3)n[nH]1
InChIInChI=1S/C13H14N4O3S/c18-13-6-5-12(15-16-13)17-21(19,20)10-4-3-9-2-1-7-14-11(9)8-10/h3-6,8,14H,1-2,7H2,(H,15,17)(H,16,18)
InChIKeyBDYNHQMNQVNLER-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.93
Rot. Bonds3

About N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide

N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide (PubChem CID 116787348) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
PubChem CID116787348
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)c2ccc3c(c2)NCCC3)n[nH]1
InChIInChI=1S/C13H14N4O3S/c18-13-6-5-12(15-16-13)17-21(19,20)10-4-3-9-2-1-7-14-11(9)8-10/h3-6,8,14H,1-2,7H2,(H,15,17)(H,16,18)
InChIKeyBDYNHQMNQVNLER-UHFFFAOYSA-N
XLogP0.93
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide with MolForge

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Related Compounds

N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 113485635
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 114932717
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
4-(2-chloroethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787510
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
2-hydroxy-5-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)benzamide
CID 130406117
2-methyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106920403
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 103094668
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102693598
N-pyrazin-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43616214

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide (CID 116787348) is N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide is O=c1ccc(NS(=O)(=O)c2ccc3c(c2)NCCC3)n[nH]1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The InChIKey is BDYNHQMNQVNLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c18-13-6-5-12(15-16-13)17-21(19,20)10-4-3-9-2-1-7-14-11(9)8-10/h3-6,8,14H,1-2,7H2,(H,15,17)(H,16,18).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide is sourced from PubChem (CID 116787348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).