5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide

C12H15N5O2S — CID 106894888

IUPAC5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCc1cccnn1
InChIInChI=1S/C12H15N5O2S/c1-14-20(18,19)12-7-9(13)4-5-11(12)15-8-10-3-2-6-16-17-10/h2-7,14-15H,8,13H2,1H3
InChIKeyZCDSKYYJNWBBSM-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.58
Rot. Bonds5

About 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide

5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide (PubChem CID 106894888) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
PubChem CID106894888
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCc1cccnn1
InChIInChI=1S/C12H15N5O2S/c1-14-20(18,19)12-7-9(13)4-5-11(12)15-8-10-3-2-6-16-17-10/h2-7,14-15H,8,13H2,1H3
InChIKeyZCDSKYYJNWBBSM-UHFFFAOYSA-N
XLogP0.58
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894891
5-amino-2-(1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 103287114
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide (CID 106894888) is 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCc1cccnn1.
What is the InChIKey of 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
The InChIKey is ZCDSKYYJNWBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-14-20(18,19)12-7-9(13)4-5-11(12)15-8-10-3-2-6-16-17-10/h2-7,14-15H,8,13H2,1H3.
What are the key properties of 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide?
5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 106894888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).