N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C19H15N3O4S — CID 38890218

IUPACN-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyHSAXTPZNMSIOAI-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.19
Rot. Bonds3

About N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 38890218) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID38890218
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC NameN-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyHSAXTPZNMSIOAI-UHFFFAOYSA-N
XLogP2.19
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453
N-(3-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 47952099
N-(4-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274420
N-(3-ethylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274483
N-(3-butylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274491
N-(4-sulfamoylphenyl)-2-(2-1,2,3,4-tetrahydroisoquinolyl)acetamide
CID 2549763
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2896841
6-{[4-(2,5-Dimethylphenyl)piperazin-1-yl]sulfonyl}-1,4-dihydroquinoxaline-2,3-dione
CID 3241269
N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3245226
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4110592
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide
CID 9464398

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 38890218) is N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is HSAXTPZNMSIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 381.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-2-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 38890218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).