3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine

C17H21N3O4S — CID 90638929

IUPAC3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)C2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-23-14-5-7-16(8-6-14)25(21,22)20-11-10-15(12-20)24-17-9-4-13(2)18-19-17/h4-9,15H,3,10-12H2,1-2H3
InChIKeyXSPZOGVTTRPAOB-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.03
Rot. Bonds6

About 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine

3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine (PubChem CID 90638929) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
PubChem CID90638929
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)C2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-23-14-5-7-16(8-6-14)25(21,22)20-11-10-15(12-20)24-17-9-4-13(2)18-19-17/h4-9,15H,3,10-12H2,1-2H3
InChIKeyXSPZOGVTTRPAOB-UHFFFAOYSA-N
XLogP2.03
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
CID 90639842
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
CID 129004923
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
5-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100630109
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915
N-(4-ethoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638864
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine?
The IUPAC name of 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine (CID 90638929) is 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine is CCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)C2)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine?
The InChIKey is XSPZOGVTTRPAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-23-14-5-7-16(8-6-14)25(21,22)20-11-10-15(12-20)24-17-9-4-13(2)18-19-17/h4-9,15H,3,10-12H2,1-2H3.
What are the key properties of 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine?
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine has a molecular weight of 363.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine is sourced from PubChem (CID 90638929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).