1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride

C6H7ClN2O3S — CID 172614638

IUPAC1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)cnn(C)c1=O
InChIInChI=1S/C6H7ClN2O3S/c1-4-5(13(7,11)12)3-8-9(2)6(4)10/h3H,1-2H3
InChIKeyGLJFQFNMHSCJNT-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.02
Rot. Bonds1

About 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride

1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride (PubChem CID 172614638) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride.

Molecular Properties

Compound Name1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride
PubChem CID172614638
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)cnn(C)c1=O
InChIInChI=1S/C6H7ClN2O3S/c1-4-5(13(7,11)12)3-8-9(2)6(4)10/h3H,1-2H3
InChIKeyGLJFQFNMHSCJNT-UHFFFAOYSA-N
XLogP0.02
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride?
The IUPAC name of 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride (CID 172614638) is 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride.
What is the SMILES notation for 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride?
The canonical SMILES for 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)cnn(C)c1=O.
What is the InChIKey of 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride?
The InChIKey is GLJFQFNMHSCJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c1-4-5(13(7,11)12)3-8-9(2)6(4)10/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride?
1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride has a molecular weight of 222.65 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-oxopyridazine-4-sulfonyl chloride is sourced from PubChem (CID 172614638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).