3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C12H12Cl2N4O2S — CID 106089456

IUPAC3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCc2cccnn2)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c13-9-4-8(6-15)12(14)11(5-9)21(19,20)17-7-10-2-1-3-16-18-10/h1-5,17H,6-7,15H2
InChIKeyZQXMNBUPOYYESJ-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.72
Rot. Bonds5

About 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide

3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089456) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089456
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC Name3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCc2cccnn2)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c13-9-4-8(6-15)12(14)11(5-9)21(19,20)17-7-10-2-1-3-16-18-10/h1-5,17H,6-7,15H2
InChIKeyZQXMNBUPOYYESJ-UHFFFAOYSA-N
XLogP1.72
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030751
5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
CID 167946559
3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
3-methyl-4-(pyridazin-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 106998653
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089456) is 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)NCc2cccnn2)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZQXMNBUPOYYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c13-9-4-8(6-15)12(14)11(5-9)21(19,20)17-7-10-2-1-3-16-18-10/h1-5,17H,6-7,15H2.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 347.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).