6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione

C18H18N4O4S — CID 3566863

IUPAC6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C18H18N4O4S/c23-17-18(24)20-16-12-14(6-7-15(16)19-17)27(25,26)22-10-8-21(9-11-22)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,23)(H,20,24)
InChIKeyMMZKHDHDKPRFLV-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.73
Rot. Bonds3

About 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione

6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 3566863) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID3566863
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C18H18N4O4S/c23-17-18(24)20-16-12-14(6-7-15(16)19-17)27(25,26)22-10-8-21(9-11-22)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,23)(H,20,24)
InChIKeyMMZKHDHDKPRFLV-UHFFFAOYSA-N
XLogP0.73
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
6-[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 31760204
N-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl)glycine
CID 2064173
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N,N-diethyl-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-sulfonamide
CID 20888101
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453
N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 3317983
N-(3-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 47952099
N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
CID 56953866

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione (CID 3566863) is 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is MMZKHDHDKPRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-17-18(24)20-16-12-14(6-7-15(16)19-17)27(25,26)22-10-8-21(9-11-22)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,23)(H,20,24).
What are the key properties of 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 386.43 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)sulfonyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 3566863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).