4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide

C15H18BrN3O3S — CID 166234259

IUPAC4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide
SMILESCc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(OC(C)C)nn1
InChIInChI=1S/C15H18BrN3O3S/c1-9(2)22-14-6-5-13(17-18-14)19-23(20,21)15-10(3)7-12(16)8-11(15)4/h5-9H,1-4H3,(H,17,19)
InChIKeyFRCYAGAAUYHYSY-UHFFFAOYSA-N
MW400.30 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide

4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide (PubChem CID 166234259) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide
PubChem CID166234259
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC Name4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide
SMILESCc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(OC(C)C)nn1
InChIInChI=1S/C15H18BrN3O3S/c1-9(2)22-14-6-5-13(17-18-14)19-23(20,21)15-10(3)7-12(16)8-11(15)4/h5-9H,1-4H3,(H,17,19)
InChIKeyFRCYAGAAUYHYSY-UHFFFAOYSA-N
XLogP3.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide (CID 166234259) is 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide is Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(OC(C)C)nn1.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide?
The InChIKey is FRCYAGAAUYHYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c1-9(2)22-14-6-5-13(17-18-14)19-23(20,21)15-10(3)7-12(16)8-11(15)4/h5-9H,1-4H3,(H,17,19).
What are the key properties of 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide?
4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide has a molecular weight of 400.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 166234259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).