N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide

C21H20N4O2S — CID 35524432

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20N4O2S/c1-15-19(16(2)25(24-15)18-10-4-3-5-11-18)14-23-28(26,27)20-12-6-8-17-9-7-13-22-21(17)20/h3-13,23H,14H2,1-2H3
InChIKeyILKGQXBNSNTYOC-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.52
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide (PubChem CID 35524432) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
PubChem CID35524432
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20N4O2S/c1-15-19(16(2)25(24-15)18-10-4-3-5-11-18)14-23-28(26,27)20-12-6-8-17-9-7-13-22-21(17)20/h3-13,23H,14H2,1-2H3
InChIKeyILKGQXBNSNTYOC-UHFFFAOYSA-N
XLogP3.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide (CID 35524432) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
The InChIKey is ILKGQXBNSNTYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-19(16(2)25(24-15)18-10-4-3-5-11-18)14-23-28(26,27)20-12-6-8-17-9-7-13-22-21(17)20/h3-13,23H,14H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 35524432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).