2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride

C8H5ClN2O4S — CID 23470781

IUPAC2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride
SMILESO=c1[nH]c2ccccc2n(S(=O)(=O)Cl)c1=O
InChIInChI=1S/C8H5ClN2O4S/c9-16(14,15)11-6-4-2-1-3-5(6)10-7(12)8(11)13/h1-4H,(H,10,12)
InChIKeyRSHHXRHOQHPRPP-UHFFFAOYSA-N
MW260.66 g/mol
LogP0.02
Rot. Bonds1

About 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride

2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride (PubChem CID 23470781) has the molecular formula C8H5ClN2O4S and a molecular weight of 260.66 g/mol. Its IUPAC name is 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride
PubChem CID23470781
Molecular FormulaC8H5ClN2O4S
Molecular Weight260.66 g/mol
Exact Mass259.97
IUPAC Name2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride
SMILESO=c1[nH]c2ccccc2n(S(=O)(=O)Cl)c1=O
InChIInChI=1S/C8H5ClN2O4S/c9-16(14,15)11-6-4-2-1-3-5(6)10-7(12)8(11)13/h1-4H,(H,10,12)
InChIKeyRSHHXRHOQHPRPP-UHFFFAOYSA-N
XLogP0.02
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1H-quinoxaline-2,3-dione;hydrochloride
CID 139677932
4-nitro-1H-quinoxaline-2,3-dione
CID 54430486
2-(2,3-dioxo-4H-quinoxalin-1-yl)acetonitrile
CID 19827841
3-methylsulfonyl-1H-benzimidazole-2-thione
CID 70260135
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073
3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
CID 175861883
4-(2-oxoazepan-3-yl)-1H-quinoxaline-2,3-dione
CID 175638269
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
tert-butyl 2,3-dioxo-4H-quinoxaline-1-carboxylate
CID 54078336
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride?
The IUPAC name of 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride (CID 23470781) is 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride?
The canonical SMILES for 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride is O=c1[nH]c2ccccc2n(S(=O)(=O)Cl)c1=O.
What is the InChIKey of 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride?
The InChIKey is RSHHXRHOQHPRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O4S/c9-16(14,15)11-6-4-2-1-3-5(6)10-7(12)8(11)13/h1-4H,(H,10,12).
What are the key properties of 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride?
2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride has a molecular weight of 260.66 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride is sourced from PubChem (CID 23470781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).