3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine

C18H23N3O4S — CID 163353167

IUPAC3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCC(COc3ccc(C)nn3)C2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-13-10-16(5-6-17(13)24-3)26(22,23)21-9-8-15(11-21)12-25-18-7-4-14(2)19-20-18/h4-7,10,15H,8-9,11-12H2,1-3H3
InChIKeyLNBVPGUGINYQCO-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.19
Rot. Bonds6

About 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine

3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine (PubChem CID 163353167) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine.

Molecular Properties

Compound Name3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
PubChem CID163353167
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCC(COc3ccc(C)nn3)C2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-13-10-16(5-6-17(13)24-3)26(22,23)21-9-8-15(11-21)12-25-18-7-4-14(2)19-20-18/h4-7,10,15H,8-9,11-12H2,1-3H3
InChIKeyLNBVPGUGINYQCO-UHFFFAOYSA-N
XLogP2.19
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
[1-(3-amino-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623894
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
2-methoxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 81438557
2-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine?
The IUPAC name of 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine (CID 163353167) is 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine.
What is the SMILES notation for 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine?
The canonical SMILES for 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine is COc1ccc(S(=O)(=O)N2CCC(COc3ccc(C)nn3)C2)cc1C.
What is the InChIKey of 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine?
The InChIKey is LNBVPGUGINYQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-10-16(5-6-17(13)24-3)26(22,23)21-9-8-15(11-21)12-25-18-7-4-14(2)19-20-18/h4-7,10,15H,8-9,11-12H2,1-3H3.
What are the key properties of 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine?
3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine has a molecular weight of 377.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine is sourced from PubChem (CID 163353167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).