N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide

C20H23N5O4S — CID 122321878

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)cc1OC
InChIInChI=1S/C20H23N5O4S/c1-25(2)16-11-20(23-21-13-16)22-14-5-7-15(8-6-14)24-30(26,27)17-9-10-18(28-3)19(12-17)29-4/h5-13,24H,1-4H3,(H,22,23)
InChIKeyNJCPLZJEICUFCI-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.10
Rot. Bonds8

About N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 122321878) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID122321878
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)cc1OC
InChIInChI=1S/C20H23N5O4S/c1-25(2)16-11-20(23-21-13-16)22-14-5-7-15(8-6-14)24-30(26,27)17-9-10-18(28-3)19(12-17)29-4/h5-13,24H,1-4H3,(H,22,23)
InChIKeyNJCPLZJEICUFCI-UHFFFAOYSA-N
XLogP3.10
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122321888
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122322166
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
3,4-dimethoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297617
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122322126
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide (CID 122321878) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)cc1OC.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is NJCPLZJEICUFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-25(2)16-11-20(23-21-13-16)22-14-5-7-15(8-6-14)24-30(26,27)17-9-10-18(28-3)19(12-17)29-4/h5-13,24H,1-4H3,(H,22,23).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 122321878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).