N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide

C22H26N4O5S2 — CID 25048332

IUPACN-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C22H26N4O5S2/c1-5-22(2,3)16-6-10-18(11-7-16)32(27,28)25-17-8-12-19(13-9-17)33(29,30)26-20-14-15-21(31-4)24-23-20/h6-15,25H,5H2,1-4H3,(H,23,26)
InChIKeyXTXWHQXPGRBUNF-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.77
Rot. Bonds9

About N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide

N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 25048332) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID25048332
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC NameN-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C22H26N4O5S2/c1-5-22(2,3)16-6-10-18(11-7-16)32(27,28)25-17-8-12-19(13-9-17)33(29,30)26-20-14-15-21(31-4)24-23-20/h6-15,25H,5H2,1-4H3,(H,23,26)
InChIKeyXTXWHQXPGRBUNF-UHFFFAOYSA-N
XLogP3.77
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.77
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
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238
2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
CID 628321
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
CID 11566144
2-hydroxy-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzamide
CID 6414370
N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
CID 5347615
4-fluoro-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 6410986
N-(1,3-benzodioxol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3861859
6-(ethylamino)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62150604
N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3865821
2-[2-[2-[4-[(2-methoxycarbonylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid;2-[2-[2-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 158268185

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 25048332) is N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(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-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XTXWHQXPGRBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-5-22(2,3)16-6-10-18(11-7-16)32(27,28)25-17-8-12-19(13-9-17)33(29,30)26-20-14-15-21(31-4)24-23-20/h6-15,25H,5H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 490.61 g/mol, XLogP of 3.77, 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-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 25048332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).