ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate

C21H21N3O6S2 — CID 41159416

IUPACethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)cc1
InChIInChI=1S/C21H21N3O6S2/c1-3-30-21(25)16-7-11-18(12-8-16)32(28,29)24-17-9-5-15(6-10-17)19-13-14-20(23-22-19)31(26,27)4-2/h5-14,24H,3-4H2,1-2H3
InChIKeyWUSSYVUDTFDCIH-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.91
Rot. Bonds8

About ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate

ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate (PubChem CID 41159416) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
PubChem CID41159416
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC Nameethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)cc1
InChIInChI=1S/C21H21N3O6S2/c1-3-30-21(25)16-7-11-18(12-8-16)32(28,29)24-17-9-5-15(6-10-17)19-13-14-20(23-22-19)31(26,27)4-2/h5-14,24H,3-4H2,1-2H3
InChIKeyWUSSYVUDTFDCIH-UHFFFAOYSA-N
XLogP2.91
TPSA132.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 41159369
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159417
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 30515965
4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159305

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate (CID 41159416) is ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate?
The InChIKey is WUSSYVUDTFDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-3-30-21(25)16-7-11-18(12-8-16)32(28,29)24-17-9-5-15(6-10-17)19-13-14-20(23-22-19)31(26,27)4-2/h5-14,24H,3-4H2,1-2H3.
What are the key properties of ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate?
ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate has a molecular weight of 475.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 41159416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).