2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H16N4O2S — CID 106894665

IUPAC2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCc2cccnn2)cc1C
InChIInChI=1S/C13H16N4O2S/c1-9-6-12(14)13(7-10(9)2)20(18,19)16-8-11-4-3-5-15-17-11/h3-7,16H,8,14H2,1-2H3
InChIKeyLITGKMXQHZRVFM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106894665) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106894665
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCc2cccnn2)cc1C
InChIInChI=1S/C13H16N4O2S/c1-9-6-12(14)13(7-10(9)2)20(18,19)16-8-11-4-3-5-15-17-11/h3-7,16H,8,14H2,1-2H3
InChIKeyLITGKMXQHZRVFM-UHFFFAOYSA-N
XLogP1.15
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
3-methyl-4-(pyridazin-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 106998653
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089456
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106894665) is 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)NCc2cccnn2)cc1C.
What is the InChIKey of 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is LITGKMXQHZRVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-6-12(14)13(7-10(9)2)20(18,19)16-8-11-4-3-5-15-17-11/h3-7,16H,8,14H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106894665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).