3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide

C10H6Cl3N3O2S — CID 113235700

IUPAC3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6Cl3N3O2S/c11-7-2-1-6(5-8(7)12)19(17,18)16-10-4-3-9(13)14-15-10/h1-5H,(H,15,16)
InChIKeyYABZJFPGNYQBBH-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.24
Rot. Bonds3

About 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide

3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide (PubChem CID 113235700) has the molecular formula C10H6Cl3N3O2S and a molecular weight of 338.60 g/mol. Its IUPAC name is 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
PubChem CID113235700
Molecular FormulaC10H6Cl3N3O2S
Molecular Weight338.60 g/mol
Exact Mass336.92
IUPAC Name3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6Cl3N3O2S/c11-7-2-1-6(5-8(7)12)19(17,18)16-10-4-3-9(13)14-15-10/h1-5H,(H,15,16)
InChIKeyYABZJFPGNYQBBH-UHFFFAOYSA-N
XLogP3.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide (CID 113235700) is 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The InChIKey is YABZJFPGNYQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O2S/c11-7-2-1-6(5-8(7)12)19(17,18)16-10-4-3-9(13)14-15-10/h1-5H,(H,15,16).
What are the key properties of 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide has a molecular weight of 338.60 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113235700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).