3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine

C8H9ClN2O2S — CID 65046814

IUPAC3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESCS(=O)(=O)C1CCc2cc(Cl)nnc21
InChIInChI=1S/C8H9ClN2O2S/c1-14(12,13)6-3-2-5-4-7(9)10-11-8(5)6/h4,6H,2-3H2,1H3
InChIKeyVLALVRFKYDUIQU-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.16
Rot. Bonds1

About 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine

3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine (PubChem CID 65046814) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
PubChem CID65046814
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESCS(=O)(=O)C1CCc2cc(Cl)nnc21
InChIInChI=1S/C8H9ClN2O2S/c1-14(12,13)6-3-2-5-4-7(9)10-11-8(5)6/h4,6H,2-3H2,1H3
InChIKeyVLALVRFKYDUIQU-UHFFFAOYSA-N
XLogP1.16
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The IUPAC name of 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine (CID 65046814) is 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine.
What is the SMILES notation for 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The canonical SMILES for 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine is CS(=O)(=O)C1CCc2cc(Cl)nnc21.
What is the InChIKey of 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The InChIKey is VLALVRFKYDUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-14(12,13)6-3-2-5-4-7(9)10-11-8(5)6/h4,6H,2-3H2,1H3.
What are the key properties of 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine has a molecular weight of 232.69 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine is sourced from PubChem (CID 65046814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).