3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine

C16H18ClN3O3S — CID 90559434

IUPAC3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H18ClN3O3S/c1-12-4-5-13(17)11-15(12)24(21,22)20-9-6-14(7-10-20)23-16-3-2-8-18-19-16/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyGGLYXMQMEMOEBV-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.67
Rot. Bonds4

About 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine

3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine (PubChem CID 90559434) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
PubChem CID90559434
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H18ClN3O3S/c1-12-4-5-13(17)11-15(12)24(21,22)20-9-6-14(7-10-20)23-16-3-2-8-18-19-16/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyGGLYXMQMEMOEBV-UHFFFAOYSA-N
XLogP2.67
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
CID 90559428
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridazine
CID 90559750
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 71799414
methyl 4-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylbenzoate
CID 71799416
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558922

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine?
The IUPAC name of 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine (CID 90559434) is 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine.
What is the SMILES notation for 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine?
The canonical SMILES for 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine?
The InChIKey is GGLYXMQMEMOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-12-4-5-13(17)11-15(12)24(21,22)20-9-6-14(7-10-20)23-16-3-2-8-18-19-16/h2-5,8,11,14H,6-7,9-10H2,1H3.
What are the key properties of 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine?
3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine has a molecular weight of 367.86 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine is sourced from PubChem (CID 90559434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).