4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C11H12N4O3S — CID 116786577

IUPAC4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C11H12N4O3S/c12-7-8-1-3-9(4-2-8)19(17,18)15-10-5-6-11(16)14-13-10/h1-6H,7,12H2,(H,13,15)(H,14,16)
InChIKeyHTIAGAHEKTWQDB-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.03
Rot. Bonds4

About 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 116786577) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID116786577
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C11H12N4O3S/c12-7-8-1-3-9(4-2-8)19(17,18)15-10-5-6-11(16)14-13-10/h1-6H,7,12H2,(H,13,15)(H,14,16)
InChIKeyHTIAGAHEKTWQDB-UHFFFAOYSA-N
XLogP0.03
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(4-sulfamoylphenethyl)-1,6-dihydropyridazine-3-carboxamide
CID 2537431
2-fluoro-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 99787055
2-fluoro-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081708
5-(aminomethyl)-3-fluoro-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081744
2-(aminomethyl)-5-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081751
5-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081759
5-fluoro-2-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081775
3-(aminomethyl)-2,4-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081783
5-(aminomethyl)-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081793
4-fluoro-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081799
4-(aminomethyl)-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081813
2-fluoro-4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081814

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 116786577) is 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is HTIAGAHEKTWQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c12-7-8-1-3-9(4-2-8)19(17,18)15-10-5-6-11(16)14-13-10/h1-6H,7,12H2,(H,13,15)(H,14,16).
What are the key properties of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116786577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).