3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine

C18H21N3O4S — CID 163355188

IUPAC3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
SMILESCc1ccc(OCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1
InChIInChI=1S/C18H21N3O4S/c1-13-2-5-18(20-19-13)25-12-14-6-8-21(11-14)26(22,23)16-3-4-17-15(10-16)7-9-24-17/h2-5,10,14H,6-9,11-12H2,1H3
InChIKeyKVLLLAXROCVICK-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.81
Rot. Bonds5

About 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine

3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine (PubChem CID 163355188) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine.

Molecular Properties

Compound Name3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
PubChem CID163355188
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
SMILESCc1ccc(OCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1
InChIInChI=1S/C18H21N3O4S/c1-13-2-5-18(20-19-13)25-12-14-6-8-21(11-14)26(22,23)16-3-4-17-15(10-16)7-9-24-17/h2-5,10,14H,6-9,11-12H2,1H3
InChIKeyKVLLLAXROCVICK-UHFFFAOYSA-N
XLogP1.81
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163353167
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylate
CID 6930883
4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine
CID 124846614
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole
CID 163350041
2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67099602

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine?
The IUPAC name of 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine (CID 163355188) is 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine.
What is the SMILES notation for 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine?
The canonical SMILES for 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine is Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1.
What is the InChIKey of 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine?
The InChIKey is KVLLLAXROCVICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-2-5-18(20-19-13)25-12-14-6-8-21(11-14)26(22,23)16-3-4-17-15(10-16)7-9-24-17/h2-5,10,14H,6-9,11-12H2,1H3.
What are the key properties of 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine?
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine has a molecular weight of 375.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine is sourced from PubChem (CID 163355188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).