2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

C12H12Cl2N4O2S — CID 106084029

IUPAC2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)Nc2cccnn2)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c1-15-7-8-9(13)4-5-10(12(8)14)21(19,20)18-11-3-2-6-16-17-11/h2-6,15H,7H2,1H3,(H,17,18)
InChIKeyNQJHXOJCILADSM-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.30
Rot. Bonds5

About 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084029) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084029
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC Name2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)Nc2cccnn2)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c1-15-7-8-9(13)4-5-10(12(8)14)21(19,20)18-11-3-2-6-16-17-11/h2-6,15H,7H2,1H3,(H,17,18)
InChIKeyNQJHXOJCILADSM-UHFFFAOYSA-N
XLogP2.30
TPSA83.98 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 106084029) is 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is CNCc1c(Cl)ccc(S(=O)(=O)Nc2cccnn2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is NQJHXOJCILADSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c1-15-7-8-9(13)4-5-10(12(8)14)21(19,20)18-11-3-2-6-16-17-11/h2-6,15H,7H2,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 347.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).