1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide

C7H9Cl2N3O2S — CID 118497534

IUPAC1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H9Cl2N3O2S/c1-12(2)15(13,14)4-5-3-6(8)10-11-7(5)9/h3H,4H2,1-2H3
InChIKeyQJECIHTZUAXKQV-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.17
Rot. Bonds3

About 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide

1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide (PubChem CID 118497534) has the molecular formula C7H9Cl2N3O2S and a molecular weight of 270.14 g/mol. Its IUPAC name is 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
PubChem CID118497534
Molecular FormulaC7H9Cl2N3O2S
Molecular Weight270.14 g/mol
Exact Mass268.98
IUPAC Name1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H9Cl2N3O2S/c1-12(2)15(13,14)4-5-3-6(8)10-11-7(5)9/h3H,4H2,1-2H3
InChIKeyQJECIHTZUAXKQV-UHFFFAOYSA-N
XLogP1.17
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 165869713
CID 165869713
CID 118504318
CID 118504318
CID 158097413
CID 158097413
CID 165636903
CID 165636903
CID 165673352
CID 165673352
CID 165883927
CID 165883927

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide (CID 118497534) is 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)Cc1cc(Cl)nnc1Cl.
What is the InChIKey of 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
The InChIKey is QJECIHTZUAXKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2S/c1-12(2)15(13,14)4-5-3-6(8)10-11-7(5)9/h3H,4H2,1-2H3.
What are the key properties of 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide?
1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide has a molecular weight of 270.14 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 118497534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).