N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide

C16H14ClN3O3S — CID 3163417

IUPACN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H14ClN3O3S/c1-2-24(22,23)20-12-8-7-10(17)9-11(12)15-16(21)19-14-6-4-3-5-13(14)18-15/h3-9,20H,2H2,1H3,(H,19,21)
InChIKeyWSUXFESQZHENKX-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.01
Rot. Bonds4

About N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide (PubChem CID 3163417) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
PubChem CID3163417
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H14ClN3O3S/c1-2-24(22,23)20-12-8-7-10(17)9-11(12)15-16(21)19-14-6-4-3-5-13(14)18-15/h3-9,20H,2H2,1H3,(H,19,21)
InChIKeyWSUXFESQZHENKX-UHFFFAOYSA-N
XLogP3.01
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.01
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]benzenesulfonamide
CID 7187743
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
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]-4-methylbenzamide
CID 100654599
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
CID 71901581
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
CID 53299187
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75458763
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
CID 71779729
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
CID 832829

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide (CID 3163417) is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide?
The InChIKey is WSUXFESQZHENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-2-24(22,23)20-12-8-7-10(17)9-11(12)15-16(21)19-14-6-4-3-5-13(14)18-15/h3-9,20H,2H2,1H3,(H,19,21).
What are the key properties of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide?
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 3163417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).