2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

C21H19N3O4S — CID 86807266

IUPAC2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1
InChIInChI=1S/C21H19N3O4S/c1-27-17-9-10-19(28-2)20(12-17)29(25,26)24-21-13-18(22-23-21)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H2,22,23,24)
InChIKeyPAWNGOSLPVQJJL-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.05
Rot. Bonds6

About 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 86807266) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID86807266
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1
InChIInChI=1S/C21H19N3O4S/c1-27-17-9-10-19(28-2)20(12-17)29(25,26)24-21-13-18(22-23-21)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H2,22,23,24)
InChIKeyPAWNGOSLPVQJJL-UHFFFAOYSA-N
XLogP4.05
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide
CID 86819251
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108782173

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 86807266) is 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is PAWNGOSLPVQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-27-17-9-10-19(28-2)20(12-17)29(25,26)24-21-13-18(22-23-21)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H2,22,23,24).
What are the key properties of 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 86807266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).