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

C24H23N5O3S — CID 122321888

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
SMILESCN(C)c1cnnc(Nc2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C24H23N5O3S/c1-29(2)20-16-24(27-25-17-20)26-18-8-10-19(11-9-18)28-33(30,31)23-14-12-22(13-15-23)32-21-6-4-3-5-7-21/h3-17,28H,1-2H3,(H,26,27)
InChIKeyOLIQSJWXWIGSQW-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.88
Rot. Bonds8

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

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide (PubChem CID 122321888) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
PubChem CID122321888
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
SMILESCN(C)c1cnnc(Nc2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C24H23N5O3S/c1-29(2)20-16-24(27-25-17-20)26-18-8-10-19(11-9-18)28-33(30,31)23-14-12-22(13-15-23)32-21-6-4-3-5-7-21/h3-17,28H,1-2H3,(H,26,27)
InChIKeyOLIQSJWXWIGSQW-UHFFFAOYSA-N
XLogP4.88
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122322166
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 122321878
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122324162
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122316291
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122322126
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354613
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
CID 122320804
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-4-phenylbenzenesulfonamide
CID 122355000
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide (CID 122321888) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide is CN(C)c1cnnc(Nc2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide?
The InChIKey is OLIQSJWXWIGSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-29(2)20-16-24(27-25-17-20)26-18-8-10-19(11-9-18)28-33(30,31)23-14-12-22(13-15-23)32-21-6-4-3-5-7-21/h3-17,28H,1-2H3,(H,26,27).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 122321888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).