1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C9H10ClN3O4S — CID 168711498

IUPAC1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)nn1
InChIInChI=1S/C9H10ClN3O4S/c1-17-8-3-2-7(11-12-8)13-5-6(4-9(13)14)18(10,15)16/h2-3,6H,4-5H2,1H3
InChIKeyBQBHMAJDGLHLKB-UHFFFAOYSA-N
MW291.72 g/mol
LogP0.16
Rot. Bonds3

About 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711498) has the molecular formula C9H10ClN3O4S and a molecular weight of 291.72 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711498
Molecular FormulaC9H10ClN3O4S
Molecular Weight291.72 g/mol
Exact Mass291.01
IUPAC Name1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)nn1
InChIInChI=1S/C9H10ClN3O4S/c1-17-8-3-2-7(11-12-8)13-5-6(4-9(13)14)18(10,15)16/h2-3,6H,4-5H2,1H3
InChIKeyBQBHMAJDGLHLKB-UHFFFAOYSA-N
XLogP0.16
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711528
1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711783
1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712510
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711787
[1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673487
1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711499
1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711460
[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674110
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(4-cyano-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711463
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711498) is 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride is COc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is BQBHMAJDGLHLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4S/c1-17-8-3-2-7(11-12-8)13-5-6(4-9(13)14)18(10,15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 291.72 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).