2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one

C14H16ClN3O3S — CID 10991481

IUPAC2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(S(=O)(=O)c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H16ClN3O3S/c1-3-17(4-2)12-10-16-18(14(19)13(12)15)22(20,21)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyVJFKRYHDGQBJFK-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.98
Rot. Bonds5

About 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one

2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one (PubChem CID 10991481) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one
PubChem CID10991481
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(S(=O)(=O)c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H16ClN3O3S/c1-3-17(4-2)12-10-16-18(14(19)13(12)15)22(20,21)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyVJFKRYHDGQBJFK-UHFFFAOYSA-N
XLogP1.98
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one (CID 10991481) is 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(S(=O)(=O)c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one?
The InChIKey is VJFKRYHDGQBJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-3-17(4-2)12-10-16-18(14(19)13(12)15)22(20,21)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one?
2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one has a molecular weight of 341.82 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 10991481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).