N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C16H15N3O5S — CID 129274553

IUPACN-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyZYUVUTFKMHIMBV-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.05
Rot. Bonds4

About N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 129274553) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID129274553
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyZYUVUTFKMHIMBV-UHFFFAOYSA-N
XLogP1.05
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3239422
4-(4-Methoxy-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 1082645
N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 651560
N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 882050
N-cycloheptyl-2-[(3-methoxyphenyl)(phenylsulfonyl)amino]acetamide
CID 1313311
N~2~-(3,4-dimethoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[4-(1-piperidinylsulfonyl)phenyl]glycinamide
CID 1338027
2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 2192340
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2991615
N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3237646
N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3239548
N-(3,5-dimethoxyphenyl)-2-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}acetamide
CID 3243841

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 129274553) is N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is COc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is ZYUVUTFKMHIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 361.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 129274553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).