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

C13H16N4O2S — CID 106894668

IUPAC6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NCc2cccnn2)c1C
InChIInChI=1S/C13H16N4O2S/c1-9-5-6-12(14)13(10(9)2)20(18,19)16-8-11-4-3-7-15-17-11/h3-7,16H,8,14H2,1-2H3
InChIKeyZXHRTHSPUNFUFF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.15
Rot. Bonds4

About 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106894668) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106894668
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NCc2cccnn2)c1C
InChIInChI=1S/C13H16N4O2S/c1-9-5-6-12(14)13(10(9)2)20(18,19)16-8-11-4-3-7-15-17-11/h3-7,16H,8,14H2,1-2H3
InChIKeyZXHRTHSPUNFUFF-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

6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781
5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089441
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 106033795
3-methyl-4-(pyridazin-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 106998653
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106894668) is 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NCc2cccnn2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZXHRTHSPUNFUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-5-6-12(14)13(10(9)2)20(18,19)16-8-11-4-3-7-15-17-11/h3-7,16H,8,14H2,1-2H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
6-amino-2,3-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 6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106894668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).