3-chloro-6-(3-methylsulfonylphenoxy)pyridazine

C11H9ClN2O3S — CID 54915361

IUPAC3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
SMILESCS(=O)(=O)c1cccc(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H9ClN2O3S/c1-18(15,16)9-4-2-3-8(7-9)17-11-6-5-10(12)13-14-11/h2-7H,1H3
InChIKeyDDUOMMUJFFUBGF-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.33
Rot. Bonds3

About 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine

3-chloro-6-(3-methylsulfonylphenoxy)pyridazine (PubChem CID 54915361) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
PubChem CID54915361
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
SMILESCS(=O)(=O)c1cccc(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H9ClN2O3S/c1-18(15,16)9-4-2-3-8(7-9)17-11-6-5-10(12)13-14-11/h2-7H,1H3
InChIKeyDDUOMMUJFFUBGF-UHFFFAOYSA-N
XLogP2.33
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
CID 80944929
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
CID 61267710
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
3-(3-methylsulfonylphenoxy)benzenethiol
CID 155585061
2-methyl-6-(3-methylsulfonylphenoxy)pyridine-4-carbothioamide
CID 114768173
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine (CID 54915361) is 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine is CS(=O)(=O)c1cccc(Oc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine?
The InChIKey is DDUOMMUJFFUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c1-18(15,16)9-4-2-3-8(7-9)17-11-6-5-10(12)13-14-11/h2-7H,1H3.
What are the key properties of 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine?
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine has a molecular weight of 284.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-methylsulfonylphenoxy)pyridazine is sourced from PubChem (CID 54915361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).