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

C21H24N4O5S2 — CID 6413238

IUPAC4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C21H24N4O5S2/c1-3-4-5-16-6-10-18(11-7-16)31(26,27)24-17-8-12-19(13-9-17)32(28,29)25-20-14-15-21(30-2)23-22-20/h6-15,24H,3-5H2,1-2H3,(H,22,25)
InChIKeyLAOUCDJTVAVEEU-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.43
Rot. Bonds10

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

4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 6413238) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID6413238
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C21H24N4O5S2/c1-3-4-5-16-6-10-18(11-7-16)31(26,27)24-17-8-12-19(13-9-17)32(28,29)25-20-14-15-21(30-2)23-22-20/h6-15,24H,3-5H2,1-2H3,(H,22,25)
InChIKeyLAOUCDJTVAVEEU-UHFFFAOYSA-N
XLogP3.43
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 25048332
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
1-(4-butylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678912
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
CID 628321
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide (CID 6413238) is 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is LAOUCDJTVAVEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-3-4-5-16-6-10-18(11-7-16)31(26,27)24-17-8-12-19(13-9-17)32(28,29)25-20-14-15-21(30-2)23-22-20/h6-15,24H,3-5H2,1-2H3,(H,22,25).
What are the key properties of 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 476.58 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 6413238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).