1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide

C7H10ClN3O2S — CID 118504318

IUPAC1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cnnc(Cl)c1
InChIInChI=1S/C7H10ClN3O2S/c1-11(2)14(12,13)5-6-3-7(8)10-9-4-6/h3-4H,5H2,1-2H3
InChIKeyGWZRTWKYYDZLBG-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.52
Rot. Bonds3

About 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide

1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide (PubChem CID 118504318) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
PubChem CID118504318
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cnnc(Cl)c1
InChIInChI=1S/C7H10ClN3O2S/c1-11(2)14(12,13)5-6-3-7(8)10-9-4-6/h3-4H,5H2,1-2H3
InChIKeyGWZRTWKYYDZLBG-UHFFFAOYSA-N
XLogP0.52
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide (CID 118504318) is 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)Cc1cnnc(Cl)c1.
What is the InChIKey of 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The InChIKey is GWZRTWKYYDZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-11(2)14(12,13)5-6-3-7(8)10-9-4-6/h3-4H,5H2,1-2H3.
What are the key properties of 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide has a molecular weight of 235.70 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 118504318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).