2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide

C21H16N4O5S — CID 23474616

IUPAC2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C21H16N4O5S/c26-19(13-10-11-15-17(12-13)24-21(28)20(27)22-15)23-16-8-4-5-9-18(16)31(29,30)25-14-6-2-1-3-7-14/h1-12,25H,(H,22,27)(H,23,26)(H,24,28)
InChIKeyFWGPSVGHIPPABF-UHFFFAOYSA-N
MW436.45 g/mol
LogP2.27
Rot. Bonds5

About 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide

2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474616) has the molecular formula C21H16N4O5S and a molecular weight of 436.45 g/mol. Its IUPAC name is 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474616
Molecular FormulaC21H16N4O5S
Molecular Weight436.45 g/mol
Exact Mass436.08
IUPAC Name2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C21H16N4O5S/c26-19(13-10-11-15-17(12-13)24-21(28)20(27)22-15)23-16-8-4-5-9-18(16)31(29,30)25-14-6-2-1-3-7-14/h1-12,25H,(H,22,27)(H,23,26)(H,24,28)
InChIKeyFWGPSVGHIPPABF-UHFFFAOYSA-N
XLogP2.27
TPSA140.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide
CID 79691671
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 126416748
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
CID 70115356
methyl 4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]benzoate
CID 15999609
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide (CID 23474616) is 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide is O=C(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is FWGPSVGHIPPABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5S/c26-19(13-10-11-15-17(12-13)24-21(28)20(27)22-15)23-16-8-4-5-9-18(16)31(29,30)25-14-6-2-1-3-7-14/h1-12,25H,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).