2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide

C19H19N3O5S — CID 7553626

IUPAC2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)c1
InChIInChI=1S/C19H19N3O5S/c1-25-15-8-10-17(26-2)18(12-15)28(23,24)22-14-6-4-13(5-7-14)16-9-11-19(27-3)21-20-16/h4-12,22H,1-3H3
InChIKeyRWQSDBPXLYMFGW-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.97
Rot. Bonds7

About 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 7553626) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID7553626
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)c1
InChIInChI=1S/C19H19N3O5S/c1-25-15-8-10-17(26-2)18(12-15)28(23,24)22-14-6-4-13(5-7-14)16-9-11-19(27-3)21-20-16/h4-12,22H,1-3H3
InChIKeyRWQSDBPXLYMFGW-UHFFFAOYSA-N
XLogP2.97
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7553670
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 7553622
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7488298
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide (CID 7553626) is 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is RWQSDBPXLYMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-25-15-8-10-17(26-2)18(12-15)28(23,24)22-14-6-4-13(5-7-14)16-9-11-19(27-3)21-20-16/h4-12,22H,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7553626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).