4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide

C21H20N4O3S — CID 4893874

IUPAC4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C21H20N4O3S/c1-4-25-21-18(12-16-6-5-13(2)11-19(16)22-21)20(23-25)24-29(27,28)17-9-7-15(8-10-17)14(3)26/h5-12H,4H2,1-3H3,(H,23,24)
InChIKeyRUQWUWOGVFFKNG-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.92
Rot. Bonds5

About 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide

4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide (PubChem CID 4893874) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
PubChem CID4893874
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C21H20N4O3S/c1-4-25-21-18(12-16-6-5-13(2)11-19(16)22-21)20(23-25)24-29(27,28)17-9-7-15(8-10-17)14(3)26/h5-12H,4H2,1-3H3,(H,23,24)
InChIKeyRUQWUWOGVFFKNG-UHFFFAOYSA-N
XLogP3.92
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
CID 4904116
N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide
CID 4973782
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide
CID 135052060
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325564
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 55912071
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide (CID 4893874) is 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccc(C)cc3nc21.
What is the InChIKey of 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The InChIKey is RUQWUWOGVFFKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-4-25-21-18(12-16-6-5-13(2)11-19(16)22-21)20(23-25)24-29(27,28)17-9-7-15(8-10-17)14(3)26/h5-12H,4H2,1-3H3,(H,23,24).
What are the key properties of 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 4893874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).