4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione

C15H17N3O6S — CID 22097197

IUPAC4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione
SMILESCS(=O)(=O)c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O6S/c1-25(23,24)13-7-10-11(8-12(13)18(21)22)17(15(20)14(19)16-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,19)
InChIKeyAVOSUEIMNJTOMW-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.51
Rot. Bonds3

About 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione

4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione (PubChem CID 22097197) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione
PubChem CID22097197
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione
SMILESCS(=O)(=O)c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O6S/c1-25(23,24)13-7-10-11(8-12(13)18(21)22)17(15(20)14(19)16-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,19)
InChIKeyAVOSUEIMNJTOMW-UHFFFAOYSA-N
XLogP1.51
TPSA132.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-amino-4-cyclohexyl-6-nitro-1H-quinoxaline-2,3-dione
CID 22097078
1-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-3-phenylurea
CID 22100084
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073
6-chloro-5-nitro-3-piperidin-4-yl-1H-benzimidazol-2-one;nitric acid
CID 172968720
6-[1-(2-hydroxyethyl)piperidin-4-yl]sulfonyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 151072726
4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784318
[1-(3-methylsulfonyl-4-nitrophenyl)pyrrolidin-2-yl]methanol
CID 133401297
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
N-cyclopentyl-N-cyclopropyl-4-methylsulfonyl-3-nitrobenzamide
CID 71897771
N-cycloheptyl-5-methylsulfonyl-3-nitrothiophen-2-amine
CID 133423964
1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
CID 54710445
1-cyclohexyl-2-(3-methylsulfonyl-4-nitroanilino)ethanol
CID 133401207

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione (CID 22097197) is 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione is CS(=O)(=O)c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-].
What is the InChIKey of 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione?
The InChIKey is AVOSUEIMNJTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-25(23,24)13-7-10-11(8-12(13)18(21)22)17(15(20)14(19)16-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,19).
What are the key properties of 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione?
4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione has a molecular weight of 367.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-7-methylsulfonyl-6-nitro-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 22097197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).