2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

C18H15Cl2N3O4S2 — CID 41159256

IUPAC2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1
InChIInChI=1S/C18H15Cl2N3O4S2/c1-2-28(24,25)18-9-8-16(21-22-18)12-4-3-5-14(10-12)23-29(26,27)17-11-13(19)6-7-15(17)20/h3-11,23H,2H2,1H3
InChIKeyDJIUXPIRIULQRL-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.04
Rot. Bonds6

About 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 41159256) has the molecular formula C18H15Cl2N3O4S2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID41159256
Molecular FormulaC18H15Cl2N3O4S2
Molecular Weight472.38 g/mol
Exact Mass470.99
IUPAC Name2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1
InChIInChI=1S/C18H15Cl2N3O4S2/c1-2-28(24,25)18-9-8-16(21-22-18)12-4-3-5-14(10-12)23-29(26,27)17-11-13(19)6-7-15(17)20/h3-11,23H,2H2,1H3
InChIKeyDJIUXPIRIULQRL-UHFFFAOYSA-N
XLogP4.04
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 43985767
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 39000746
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
2,3-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349130
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 43985825
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 41159256) is 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is CCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1.
What is the InChIKey of 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is DJIUXPIRIULQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4S2/c1-2-28(24,25)18-9-8-16(21-22-18)12-4-3-5-14(10-12)23-29(26,27)17-11-13(19)6-7-15(17)20/h3-11,23H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 472.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41159256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).