3-chloro-6-cyclohexylsulfonylpyridazine

C10H13ClN2O2S — CID 95915804

IUPAC3-chloro-6-cyclohexylsulfonylpyridazine
SMILESO=S(=O)(c1ccc(Cl)nn1)C1CCCCC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-6-7-10(13-12-9)16(14,15)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyCKYIZIIXNJKBQS-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.24
Rot. Bonds2

About 3-chloro-6-cyclohexylsulfonylpyridazine

3-chloro-6-cyclohexylsulfonylpyridazine (PubChem CID 95915804) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-chloro-6-cyclohexylsulfonylpyridazine.

Molecular Properties

Compound Name3-chloro-6-cyclohexylsulfonylpyridazine
PubChem CID95915804
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name3-chloro-6-cyclohexylsulfonylpyridazine
SMILESO=S(=O)(c1ccc(Cl)nn1)C1CCCCC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-6-7-10(13-12-9)16(14,15)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyCKYIZIIXNJKBQS-UHFFFAOYSA-N
XLogP2.24
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-cyclohexylsulfonylpyridazine?
The IUPAC name of 3-chloro-6-cyclohexylsulfonylpyridazine (CID 95915804) is 3-chloro-6-cyclohexylsulfonylpyridazine.
What is the SMILES notation for 3-chloro-6-cyclohexylsulfonylpyridazine?
The canonical SMILES for 3-chloro-6-cyclohexylsulfonylpyridazine is O=S(=O)(c1ccc(Cl)nn1)C1CCCCC1.
What is the InChIKey of 3-chloro-6-cyclohexylsulfonylpyridazine?
The InChIKey is CKYIZIIXNJKBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-6-7-10(13-12-9)16(14,15)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 3-chloro-6-cyclohexylsulfonylpyridazine?
3-chloro-6-cyclohexylsulfonylpyridazine has a molecular weight of 260.75 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-cyclohexylsulfonylpyridazine is sourced from PubChem (CID 95915804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).