N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide

C25H22N6O3S — CID 1069012

IUPACN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H22N6O3S/c1-17-22(25(32)31(30(17)2)18-11-5-3-6-12-18)28-23-24(27-21-16-10-9-15-20(21)26-23)29-35(33,34)19-13-7-4-8-14-19/h3-16H,1-2H3,(H,26,28)(H,27,29)
InChIKeyKTDPLYAVINTGMU-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.97
Rot. Bonds6

About N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1069012) has the molecular formula C25H22N6O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID1069012
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC NameN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H22N6O3S/c1-17-22(25(32)31(30(17)2)18-11-5-3-6-12-18)28-23-24(27-21-16-10-9-15-20(21)26-23)29-35(33,34)19-13-7-4-8-14-19/h3-16H,1-2H3,(H,26,28)(H,27,29)
InChIKeyKTDPLYAVINTGMU-UHFFFAOYSA-N
XLogP3.97
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide (CID 1069012) is N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide is Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is KTDPLYAVINTGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S/c1-17-22(25(32)31(30(17)2)18-11-5-3-6-12-18)28-23-24(27-21-16-10-9-15-20(21)26-23)29-35(33,34)19-13-7-4-8-14-19/h3-16H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 486.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1069012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).