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

C19H18N4O2S — CID 666001

IUPACN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4O2S/c1-2-12-23-19-16(13-14-8-6-7-11-17(14)20-19)18(21-23)22-26(24,25)15-9-4-3-5-10-15/h3-11,13H,2,12H2,1H3,(H,21,22)
InChIKeyBOFHPPGXVQZTPU-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.80
Rot. Bonds5

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

N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (PubChem CID 666001) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
PubChem CID666001
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4O2S/c1-2-12-23-19-16(13-14-8-6-7-11-17(14)20-19)18(21-23)22-26(24,25)15-9-4-3-5-10-15/h3-11,13H,2,12H2,1H3,(H,21,22)
InChIKeyBOFHPPGXVQZTPU-UHFFFAOYSA-N
XLogP3.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (CID 666001) is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
The InChIKey is BOFHPPGXVQZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-12-23-19-16(13-14-8-6-7-11-17(14)20-19)18(21-23)22-26(24,25)15-9-4-3-5-10-15/h3-11,13H,2,12H2,1H3,(H,21,22).
What are the key properties of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide?
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide has a molecular weight of 366.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 666001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).