N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide

C16H15N3O3S — CID 6463853

IUPACN-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(-c2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-12(19-23(2,21)22)11(9-10)15-16(20)18-14-6-4-3-5-13(14)17-15/h3-9,19H,1-2H3,(H,18,20)
InChIKeyQVSBCXWWXXRQCJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.27
Rot. Bonds3

About N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide

N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide (PubChem CID 6463853) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
PubChem CID6463853
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(-c2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-12(19-23(2,21)22)11(9-10)15-16(20)18-14-6-4-3-5-13(14)17-15/h3-9,19H,1-2H3,(H,18,20)
InChIKeyQVSBCXWWXXRQCJ-UHFFFAOYSA-N
XLogP2.27
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 7187725
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 7187743
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
CID 100654599
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691
N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
CID 142133755
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75458763
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 8007173
N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75454348
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide (CID 6463853) is N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(-c2nc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide?
The InChIKey is QVSBCXWWXXRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-7-8-12(19-23(2,21)22)11(9-10)15-16(20)18-14-6-4-3-5-13(14)17-15/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide?
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 6463853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).