2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide

C11H8Cl3N3O2S — CID 25040283

IUPAC2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)nn2)c(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3O2S/c1-6-4-9(8(13)5-7(6)12)20(18,19)17-11-3-2-10(14)15-16-11/h2-5H,1H3,(H,16,17)
InChIKeyUAJWOLPFSFCIBK-UHFFFAOYSA-N
MW352.63 g/mol
LogP3.55
Rot. Bonds3

About 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide (PubChem CID 25040283) has the molecular formula C11H8Cl3N3O2S and a molecular weight of 352.63 g/mol. Its IUPAC name is 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide
PubChem CID25040283
Molecular FormulaC11H8Cl3N3O2S
Molecular Weight352.63 g/mol
Exact Mass350.94
IUPAC Name2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)nn2)c(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3O2S/c1-6-4-9(8(13)5-7(6)12)20(18,19)17-11-3-2-10(14)15-16-11/h2-5H,1H3,(H,16,17)
InChIKeyUAJWOLPFSFCIBK-UHFFFAOYSA-N
XLogP3.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide (CID 25040283) is 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)nn2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide?
The InChIKey is UAJWOLPFSFCIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O2S/c1-6-4-9(8(13)5-7(6)12)20(18,19)17-11-3-2-10(14)15-16-11/h2-5H,1H3,(H,16,17).
What are the key properties of 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide has a molecular weight of 352.63 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(6-chloropyridazin-3-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 25040283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).