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

C21H23N3O5S — CID 30295054

IUPAC2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCCOc1ccc(-c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nn1
InChIInChI=1S/C21H23N3O5S/c1-4-13-29-21-12-10-18(22-23-21)15-5-7-16(8-6-15)24-30(25,26)20-14-17(27-2)9-11-19(20)28-3/h5-12,14,24H,4,13H2,1-3H3
InChIKeyGLVYEDPJYGAFKT-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.75
Rot. Bonds9

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

2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 30295054) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID30295054
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCCOc1ccc(-c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nn1
InChIInChI=1S/C21H23N3O5S/c1-4-13-29-21-12-10-18(22-23-21)15-5-7-16(8-6-15)24-30(25,26)20-14-17(27-2)9-11-19(20)28-3/h5-12,14,24H,4,13H2,1-3H3
InChIKeyGLVYEDPJYGAFKT-UHFFFAOYSA-N
XLogP3.75
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7553670
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41349150
2-methyl-5-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295090
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
3-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7524051
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide (CID 30295054) is 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide is CCCOc1ccc(-c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nn1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is GLVYEDPJYGAFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-13-29-21-12-10-18(22-23-21)15-5-7-16(8-6-15)24-30(25,26)20-14-17(27-2)9-11-19(20)28-3/h5-12,14,24H,4,13H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 3.75, 9 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-propoxypyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 30295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).