N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide

C19H18N4O2S — CID 4904185

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4O2S/c1-3-23-19-16(12-14-6-4-5-7-17(14)20-19)18(21-23)22-26(24,25)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyLIBIOUFRJOEOOM-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.71
Rot. Bonds4

About N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide (PubChem CID 4904185) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide
PubChem CID4904185
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4O2S/c1-3-23-19-16(12-14-6-4-5-7-17(14)20-19)18(21-23)22-26(24,25)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyLIBIOUFRJOEOOM-UHFFFAOYSA-N
XLogP3.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide (CID 4904185) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is LIBIOUFRJOEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-23-19-16(12-14-6-4-5-7-17(14)20-19)18(21-23)22-26(24,25)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 366.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 4904185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).