4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide

C20H21N3O3S — CID 8523124

IUPAC4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1
InChIInChI=1S/C20H21N3O3S/c1-3-14-26-20-13-12-19(21-22-20)16-6-8-17(9-7-16)23-27(24,25)18-10-4-15(2)5-11-18/h4-13,23H,3,14H2,1-2H3
InChIKeyYEVMSDAQWJNOEP-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.04
Rot. Bonds7

About 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide

4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 8523124) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID8523124
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1
InChIInChI=1S/C20H21N3O3S/c1-3-14-26-20-13-12-19(21-22-20)16-6-8-17(9-7-16)23-27(24,25)18-10-4-15(2)5-11-18/h4-13,23H,3,14H2,1-2H3
InChIKeyYEVMSDAQWJNOEP-UHFFFAOYSA-N
XLogP4.04
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41349150
3-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7524051
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
2-methyl-5-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295090
2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide
CID 7519314
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 7553622
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide (CID 8523124) is 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide is CCCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1.
What is the InChIKey of 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is YEVMSDAQWJNOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-14-26-20-13-12-19(21-22-20)16-6-8-17(9-7-16)23-27(24,25)18-10-4-15(2)5-11-18/h4-13,23H,3,14H2,1-2H3.
What are the key properties of 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8523124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).