2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide

C20H20ClN3O3S — CID 43985825

IUPAC2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCC(C)COc1ccc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)nn1
InChIInChI=1S/C20H20ClN3O3S/c1-14(2)13-27-20-11-10-18(22-23-20)15-6-5-7-16(12-15)24-28(25,26)19-9-4-3-8-17(19)21/h3-12,14,24H,13H2,1-2H3
InChIKeyHDHQLDIVWMGGET-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.63
Rot. Bonds7

About 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide

2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 43985825) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID43985825
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCC(C)COc1ccc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)nn1
InChIInChI=1S/C20H20ClN3O3S/c1-14(2)13-27-20-11-10-18(22-23-20)15-6-5-7-16(12-15)24-28(25,26)19-9-4-3-8-17(19)21/h3-12,14,24H,13H2,1-2H3
InChIKeyHDHQLDIVWMGGET-UHFFFAOYSA-N
XLogP4.63
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 43985825) is 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide is CC(C)COc1ccc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is HDHQLDIVWMGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-14(2)13-27-20-11-10-18(22-23-20)15-6-5-7-16(12-15)24-28(25,26)19-9-4-3-8-17(19)21/h3-12,14,24H,13H2,1-2H3.
What are the key properties of 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide?
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 417.92 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 43985825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).