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

C18H16N4O2S — CID 4903668

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21
InChIInChI=1S/C18H16N4O2S/c1-2-22-18-15(12-13-8-6-7-11-16(13)19-18)17(20-22)21-25(23,24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H,20,21)
InChIKeyIVAOCRBEKFDVQK-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.41
Rot. Bonds4

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

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (PubChem CID 4903668) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
PubChem CID4903668
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21
InChIInChI=1S/C18H16N4O2S/c1-2-22-18-15(12-13-8-6-7-11-16(13)19-18)17(20-22)21-25(23,24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H,20,21)
InChIKeyIVAOCRBEKFDVQK-UHFFFAOYSA-N
XLogP3.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide 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)benzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (CID 4903668) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The InChIKey is IVAOCRBEKFDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-2-22-18-15(12-13-8-6-7-11-16(13)19-18)17(20-22)21-25(23,24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.41, 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)benzenesulfonamide is sourced from PubChem (CID 4903668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).