ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate

C11H11ClN4O4S — CID 102990345

IUPACethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C11H11ClN4O4S/c1-2-20-11(17)16-21(18,19)15-10-9(12)13-7-5-3-4-6-8(7)14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyWZMATXNMJVKLEB-UHFFFAOYSA-N
MW330.75 g/mol
LogP1.69
Rot. Bonds4

About ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate

ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate (PubChem CID 102990345) has the molecular formula C11H11ClN4O4S and a molecular weight of 330.75 g/mol. Its IUPAC name is ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
PubChem CID102990345
Molecular FormulaC11H11ClN4O4S
Molecular Weight330.75 g/mol
Exact Mass330.02
IUPAC Nameethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C11H11ClN4O4S/c1-2-20-11(17)16-21(18,19)15-10-9(12)13-7-5-3-4-6-8(7)14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyWZMATXNMJVKLEB-UHFFFAOYSA-N
XLogP1.69
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate (CID 102990345) is ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate?
The InChIKey is WZMATXNMJVKLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O4S/c1-2-20-11(17)16-21(18,19)15-10-9(12)13-7-5-3-4-6-8(7)14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate?
ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate has a molecular weight of 330.75 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 102990345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).