4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

C18H17N3O5S2 — CID 41159305

IUPAC4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1
InChIInChI=1S/C18H17N3O5S2/c1-26-15-7-9-16(10-8-15)28(24,25)21-14-5-3-13(4-6-14)17-11-12-18(20-19-17)27(2,22)23/h3-12,21H,1-2H3
InChIKeyQAMUIJQPBGYGFE-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.36
Rot. Bonds6

About 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 41159305) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID41159305
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC Name4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1
InChIInChI=1S/C18H17N3O5S2/c1-26-15-7-9-16(10-8-15)28(24,25)21-14-5-3-13(4-6-14)17-11-12-18(20-19-17)27(2,22)23/h3-12,21H,1-2H3
InChIKeyQAMUIJQPBGYGFE-UHFFFAOYSA-N
XLogP2.36
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide 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

4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
4-methoxy-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 26843069
5-methyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 8523310
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 41159369
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
ethyl 4-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]sulfamoyl]benzoate
CID 41159416
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 41159305) is 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is QAMUIJQPBGYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c1-26-15-7-9-16(10-8-15)28(24,25)21-14-5-3-13(4-6-14)17-11-12-18(20-19-17)27(2,22)23/h3-12,21H,1-2H3.
What are the key properties of 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 419.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41159305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).