N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide

C23H24N4O2S — CID 118512792

IUPACN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2S/c1-17(2)14-21-15-19(26-27(21)20-10-4-3-5-11-20)16-25-30(28,29)22-12-6-8-18-9-7-13-24-23(18)22/h3-13,15,17,25H,14,16H2,1-2H3
InChIKeyQNGUXLPPDMBKJF-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.10
Rot. Bonds7

About N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide

N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide (PubChem CID 118512792) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide
PubChem CID118512792
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2S/c1-17(2)14-21-15-19(26-27(21)20-10-4-3-5-11-20)16-25-30(28,29)22-12-6-8-18-9-7-13-24-23(18)22/h3-13,15,17,25H,14,16H2,1-2H3
InChIKeyQNGUXLPPDMBKJF-UHFFFAOYSA-N
XLogP4.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide 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-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide (CID 118512792) is N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide is CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccccc1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is QNGUXLPPDMBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-17(2)14-21-15-19(26-27(21)20-10-4-3-5-11-20)16-25-30(28,29)22-12-6-8-18-9-7-13-24-23(18)22/h3-13,15,17,25H,14,16H2,1-2H3.
What are the key properties of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide?
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 118512792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).