3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine

C12H11ClN2O2S — CID 58118957

IUPAC3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine
SMILESCS(=O)(=O)Cc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-18(16,17)8-9-2-4-10(5-3-9)11-6-7-12(13)15-14-11/h2-7H,8H2,1H3
InChIKeyUDYSNIVRKOYAJS-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.34
Rot. Bonds3

About 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine

3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine (PubChem CID 58118957) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine
PubChem CID58118957
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine
SMILESCS(=O)(=O)Cc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-18(16,17)8-9-2-4-10(5-3-9)11-6-7-12(13)15-14-11/h2-7H,8H2,1H3
InChIKeyUDYSNIVRKOYAJS-UHFFFAOYSA-N
XLogP2.34
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine (CID 58118957) is 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine is CS(=O)(=O)Cc1ccc(-c2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine?
The InChIKey is UDYSNIVRKOYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-18(16,17)8-9-2-4-10(5-3-9)11-6-7-12(13)15-14-11/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine?
3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine has a molecular weight of 282.75 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine is sourced from PubChem (CID 58118957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).