methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate

C12H12ClN3O4S — CID 102990394

IUPACmethyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H12ClN3O4S/c1-20-10(17)6-7-21(18,19)16-12-11(13)14-8-4-2-3-5-9(8)15-12/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyGRTNCZIVYKFWJE-UHFFFAOYSA-N
MW329.77 g/mol
LogP1.59
Rot. Bonds5

About methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate

methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate (PubChem CID 102990394) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate
PubChem CID102990394
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Namemethyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H12ClN3O4S/c1-20-10(17)6-7-21(18,19)16-12-11(13)14-8-4-2-3-5-9(8)15-12/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyGRTNCZIVYKFWJE-UHFFFAOYSA-N
XLogP1.59
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate 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

N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide
CID 102990310
N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide
CID 102990258
ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
CID 102990345
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate
CID 60675405
methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
CID 107596045
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
CID 114048982
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
CID 54952491
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409
methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 54952273
ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
CID 113391864

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate (CID 102990394) is methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate?
The InChIKey is GRTNCZIVYKFWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-20-10(17)6-7-21(18,19)16-12-11(13)14-8-4-2-3-5-9(8)15-12/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate?
methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate has a molecular weight of 329.77 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 102990394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).