5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide

C15H20N4O2S — CID 27245270

IUPAC5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(-c2ccc(C)c(S(N)(=O)=O)c2)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-19(5-2)15-9-8-13(17-18-15)12-7-6-11(3)14(10-12)22(16,20)21/h6-10H,4-5H2,1-3H3,(H2,16,20,21)
InChIKeyUWHHPNXHPQIQIH-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.95
Rot. Bonds5

About 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide

5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 27245270) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID27245270
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(-c2ccc(C)c(S(N)(=O)=O)c2)nn1
InChIInChI=1S/C15H20N4O2S/c1-4-19(5-2)15-9-8-13(17-18-15)12-7-6-11(3)14(10-12)22(16,20)21/h6-10H,4-5H2,1-3H3,(H2,16,20,21)
InChIKeyUWHHPNXHPQIQIH-UHFFFAOYSA-N
XLogP1.95
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 27245270) is 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is CCN(CC)c1ccc(-c2ccc(C)c(S(N)(=O)=O)c2)nn1.
What is the InChIKey of 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is UWHHPNXHPQIQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-19(5-2)15-9-8-13(17-18-15)12-7-6-11(3)14(10-12)22(16,20)21/h6-10H,4-5H2,1-3H3,(H2,16,20,21).
What are the key properties of 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 27245270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).