4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C11H12N4O3S — CID 116786258

IUPAC4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H12N4O3S/c1-7-6-8(12)2-3-9(7)19(17,18)15-10-4-5-11(16)14-13-10/h2-6H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyIRTMCAXFVPSTLO-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.46
Rot. Bonds3

About 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 116786258) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID116786258
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H12N4O3S/c1-7-6-8(12)2-3-9(7)19(17,18)15-10-4-5-11(16)14-13-10/h2-6H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyIRTMCAXFVPSTLO-UHFFFAOYSA-N
XLogP0.46
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786255
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
2-methyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106920403
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081796

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 116786258) is 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is IRTMCAXFVPSTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-6-8(12)2-3-9(7)19(17,18)15-10-4-5-11(16)14-13-10/h2-6H,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116786258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).