N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

C20H20N4O2S — CID 666658

IUPACN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide
SMILESCC(C)Cn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21
InChIInChI=1S/C20H20N4O2S/c1-14(2)13-24-20-17(12-15-8-6-7-11-18(15)21-20)19(22-24)23-27(25,26)16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyBVSPYKBPVONFLP-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide (PubChem CID 666658) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide
PubChem CID666658
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide
SMILESCC(C)Cn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21
InChIInChI=1S/C20H20N4O2S/c1-14(2)13-24-20-17(12-15-8-6-7-11-18(15)21-20)19(22-24)23-27(25,26)16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyBVSPYKBPVONFLP-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methylpropyl)pyrazolo[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

Related Compounds

Pazopanib
CID 10113978
Pazopanib Hydrochloride
CID 11525740
N,5-Dimethyl-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo-[1,5-a]quinazolin-2-amine
CID 44156756
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
N,9-Dimethyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo-[5,1-b]quinazolin-2-amine
CID 46867521
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-
CID 68319455
3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10180652
3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949548
N-(3-{[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]methyl}phenyl)ethanesulfonamide
CID 70115992
3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949546
3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949702
4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino) benzenesulfonamide (P2b)
CID 74982356

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide (CID 666658) is N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide is CC(C)Cn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide?
The InChIKey is BVSPYKBPVONFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14(2)13-24-20-17(12-15-8-6-7-11-18(15)21-20)19(22-24)23-27(25,26)16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide?
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 666658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).