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

C15H16ClN3O3S — CID 90638526

IUPAC3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H16ClN3O3S/c1-11-4-5-12(16)9-14(11)23(20,21)19-8-6-13(10-19)22-15-3-2-7-17-18-15/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyNBGVWSFRBBVRTO-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.28
Rot. Bonds4

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

3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 90638526) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID90638526
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H16ClN3O3S/c1-11-4-5-12(16)9-14(11)23(20,21)19-8-6-13(10-19)22-15-3-2-7-17-18-15/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyNBGVWSFRBBVRTO-UHFFFAOYSA-N
XLogP2.28
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
CID 90559434
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041
4-methyl-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 129337794
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638544
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 91627303

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 90638526) is 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is NBGVWSFRBBVRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-11-4-5-12(16)9-14(11)23(20,21)19-8-6-13(10-19)22-15-3-2-7-17-18-15/h2-5,7,9,13H,6,8,10H2,1H3.
What are the key properties of 3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 353.83 g/mol, XLogP of 2.28, 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)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 90638526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).