N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide

C20H19N5O3S — CID 46226922

IUPACN-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C
InChIInChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3
InChIKeyYXZXTOAUUFWDRG-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.37
Rot. Bonds4

About N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide

N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide (PubChem CID 46226922) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide
PubChem CID46226922
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C
InChIInChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3
InChIKeyYXZXTOAUUFWDRG-UHFFFAOYSA-N
XLogP2.37
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide (CID 46226922) is N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide is Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C.
What is the InChIKey of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is YXZXTOAUUFWDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3.
What are the key properties of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide?
N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 46226922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).