N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide

C20H22N4O5S2 — CID 6411940

IUPACN-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C20H22N4O5S2/c1-3-4-15-5-9-17(10-6-15)30(25,26)23-16-7-11-18(12-8-16)31(27,28)24-19-13-14-20(29-2)22-21-19/h5-14,23H,3-4H2,1-2H3,(H,21,24)
InChIKeyYBWFRJUIFUTTIO-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.04
Rot. Bonds9

About N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide

N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide (PubChem CID 6411940) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
PubChem CID6411940
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC NameN-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C20H22N4O5S2/c1-3-4-15-5-9-17(10-6-15)30(25,26)23-16-7-11-18(12-8-16)31(27,28)24-19-13-14-20(29-2)22-21-19/h5-14,23H,3-4H2,1-2H3,(H,21,24)
InChIKeyYBWFRJUIFUTTIO-UHFFFAOYSA-N
XLogP3.04
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 25048332
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
CID 628321
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
2-hydroxy-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzamide
CID 6414370
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide (CID 6411940) is N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1.
What is the InChIKey of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide?
The InChIKey is YBWFRJUIFUTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c1-3-4-15-5-9-17(10-6-15)30(25,26)23-16-7-11-18(12-8-16)31(27,28)24-19-13-14-20(29-2)22-21-19/h5-14,23H,3-4H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide?
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide has a molecular weight of 462.55 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 6411940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).