3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine

C15H15ClFN3O4S — CID 90639393

IUPAC3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nn1
InChIInChI=1S/C15H15ClFN3O4S/c1-23-14-4-5-15(19-18-14)24-10-6-7-20(9-10)25(21,22)11-2-3-13(17)12(16)8-11/h2-5,8,10H,6-7,9H2,1H3
InChIKeyPKABHEUDISLTJB-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.12
Rot. Bonds5

About 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine

3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine (PubChem CID 90639393) has the molecular formula C15H15ClFN3O4S and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine.

Molecular Properties

Compound Name3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
PubChem CID90639393
Molecular FormulaC15H15ClFN3O4S
Molecular Weight387.82 g/mol
Exact Mass387.05
IUPAC Name3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nn1
InChIInChI=1S/C15H15ClFN3O4S/c1-23-14-4-5-15(19-18-14)24-10-6-7-20(9-10)25(21,22)11-2-3-13(17)12(16)8-11/h2-5,8,10H,6-7,9H2,1H3
InChIKeyPKABHEUDISLTJB-UHFFFAOYSA-N
XLogP2.12
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine?
The IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine (CID 90639393) is 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine.
What is the SMILES notation for 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine?
The canonical SMILES for 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine is COc1ccc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nn1.
What is the InChIKey of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine?
The InChIKey is PKABHEUDISLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O4S/c1-23-14-4-5-15(19-18-14)24-10-6-7-20(9-10)25(21,22)11-2-3-13(17)12(16)8-11/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine?
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine has a molecular weight of 387.82 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine is sourced from PubChem (CID 90639393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).