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

C19H17FN4O2S — CID 4909089

IUPAC4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H17FN4O2S/c1-2-11-24-19-16(12-13-5-3-4-6-17(13)21-19)18(22-24)23-27(25,26)15-9-7-14(20)8-10-15/h3-10,12H,2,11H2,1H3,(H,22,23)
InChIKeyAKDGUPKFBJDDHU-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.93
Rot. Bonds5

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

4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (PubChem CID 4909089) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
PubChem CID4909089
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H17FN4O2S/c1-2-11-24-19-16(12-13-5-3-4-6-17(13)21-19)18(22-24)23-27(25,26)15-9-7-14(20)8-10-15/h3-10,12H,2,11H2,1H3,(H,22,23)
InChIKeyAKDGUPKFBJDDHU-UHFFFAOYSA-N
XLogP3.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (CID 4909089) is 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is CCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccccc3nc21.
What is the InChIKey of 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The InChIKey is AKDGUPKFBJDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-2-11-24-19-16(12-13-5-3-4-6-17(13)21-19)18(22-24)23-27(25,26)15-9-7-14(20)8-10-15/h3-10,12H,2,11H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide has a molecular weight of 384.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 4909089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).