N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide

C20H20N4O3S — CID 4903236

IUPACN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C20H20N4O3S/c1-4-24-20-17(12-14-7-5-6-13(2)18(14)21-20)19(22-24)23-28(25,26)16-10-8-15(27-3)9-11-16/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyZOJGAONMHCOBTQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.72
Rot. Bonds5

About N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide

N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide (PubChem CID 4903236) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
PubChem CID4903236
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C20H20N4O3S/c1-4-24-20-17(12-14-7-5-6-13(2)18(14)21-20)19(22-24)23-28(25,26)16-10-8-15(27-3)9-11-16/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyZOJGAONMHCOBTQ-UHFFFAOYSA-N
XLogP3.72
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
CID 4893874
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide
CID 4973782
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 22771326
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
CID 57287286
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide (CID 4903236) is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide?
The InChIKey is ZOJGAONMHCOBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-4-24-20-17(12-14-7-5-6-13(2)18(14)21-20)19(22-24)23-28(25,26)16-10-8-15(27-3)9-11-16/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide?
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4903236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).