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

C23H20N6O3S2 — CID 2309467

IUPACN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H20N6O3S2/c1-15-20(23(30)29(28(15)2)16-9-4-3-5-10-16)26-21-22(25-18-12-7-6-11-17(18)24-21)27-34(31,32)19-13-8-14-33-19/h3-14H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQUMIKZLUZYRNDK-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.03
Rot. Bonds6

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

N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2309467) has the molecular formula C23H20N6O3S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2309467
Molecular FormulaC23H20N6O3S2
Molecular Weight492.59 g/mol
Exact Mass492.10
IUPAC NameN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H20N6O3S2/c1-15-20(23(30)29(28(15)2)16-9-4-3-5-10-16)26-21-22(25-18-12-7-6-11-17(18)24-21)27-34(31,32)19-13-8-14-33-19/h3-14H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQUMIKZLUZYRNDK-UHFFFAOYSA-N
XLogP4.03
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2309467) is N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide is Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)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]thiophene-2-sulfonamide?
The InChIKey is QUMIKZLUZYRNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S2/c1-15-20(23(30)29(28(15)2)16-9-4-3-5-10-16)26-21-22(25-18-12-7-6-11-17(18)24-21)27-34(31,32)19-13-8-14-33-19/h3-14H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 492.59 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]thiophene-2-sulfonamide is sourced from PubChem (CID 2309467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).