3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine

C12H10Cl2N2O2S — CID 10925155

IUPAC3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(S(=O)(=O)Cc2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-2-4-10(5-3-8)19(17,18)7-9-6-11(13)15-16-12(9)14/h2-6H,7H2,1H3
InChIKeyMKHWDGJNJXUWIB-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.07
Rot. Bonds3

About 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine

3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine (PubChem CID 10925155) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
PubChem CID10925155
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(S(=O)(=O)Cc2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-2-4-10(5-3-8)19(17,18)7-9-6-11(13)15-16-12(9)14/h2-6H,7H2,1H3
InChIKeyMKHWDGJNJXUWIB-UHFFFAOYSA-N
XLogP3.07
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine (CID 10925155) is 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine is Cc1ccc(S(=O)(=O)Cc2cc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The InChIKey is MKHWDGJNJXUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-8-2-4-10(5-3-8)19(17,18)7-9-6-11(13)15-16-12(9)14/h2-6H,7H2,1H3.
What are the key properties of 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine has a molecular weight of 317.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine is sourced from PubChem (CID 10925155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).