3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine

C9H12ClN3O2S — CID 97163638

IUPAC3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
SMILESO=S(=O)(c1ccc(Cl)nn1)[C@@H]1CCCNC1
InChIInChI=1S/C9H12ClN3O2S/c10-8-3-4-9(13-12-8)16(14,15)7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2/t7-/m1/s1
InChIKeyUAMWMOYAGFUSEK-SSDOTTSWSA-N
MW261.73 g/mol
LogP0.66
Rot. Bonds2

About 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine

3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine (PubChem CID 97163638) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
PubChem CID97163638
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
SMILESO=S(=O)(c1ccc(Cl)nn1)[C@@H]1CCCNC1
InChIInChI=1S/C9H12ClN3O2S/c10-8-3-4-9(13-12-8)16(14,15)7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2/t7-/m1/s1
InChIKeyUAMWMOYAGFUSEK-SSDOTTSWSA-N
XLogP0.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
3-chloro-6-cyclohexylsulfonylpyridazine
CID 95915804
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71640189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine?
The IUPAC name of 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine (CID 97163638) is 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine.
What is the SMILES notation for 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine?
The canonical SMILES for 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine is O=S(=O)(c1ccc(Cl)nn1)[C@@H]1CCCNC1.
What is the InChIKey of 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine?
The InChIKey is UAMWMOYAGFUSEK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-8-3-4-9(13-12-8)16(14,15)7-2-1-5-11-6-7/h3-4,7,11H,1-2,5-6H2/t7-/m1/s1.
What are the key properties of 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine?
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine has a molecular weight of 261.73 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine is sourced from PubChem (CID 97163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).