N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide

C20H20N4O2S — CID 2027759

IUPACN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C20H20N4O2S/c1-3-11-24-20-17(13-15-12-14(2)9-10-18(15)21-20)19(22-24)23-27(25,26)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3,(H,22,23)
InChIKeyFQUDZDNVCFCEAM-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.10
Rot. Bonds5

About N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide

N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide (PubChem CID 2027759) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
PubChem CID2027759
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C20H20N4O2S/c1-3-11-24-20-17(13-15-12-14(2)9-10-18(15)21-20)19(22-24)23-27(25,26)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3,(H,22,23)
InChIKeyFQUDZDNVCFCEAM-UHFFFAOYSA-N
XLogP4.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide (CID 2027759) is N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide is CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cc(C)ccc3nc21.
What is the InChIKey of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The InChIKey is FQUDZDNVCFCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-11-24-20-17(13-15-12-14(2)9-10-18(15)21-20)19(22-24)23-27(25,26)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3,(H,22,23).
What are the key properties of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 2027759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).