ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate

C21H22ClN5O4S — CID 25036116

IUPACethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN5O4S/c1-2-31-21(28)27-13-11-26(12-14-27)20-19(23-17-5-3-4-6-18(17)24-20)25-32(29,30)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3,(H,23,25)
InChIKeyUNOOLWVETOIFIF-UHFFFAOYSA-N
MW475.96 g/mol
LogP3.36
Rot. Bonds5

About ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate

ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate (PubChem CID 25036116) has the molecular formula C21H22ClN5O4S and a molecular weight of 475.96 g/mol. Its IUPAC name is ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
PubChem CID25036116
Molecular FormulaC21H22ClN5O4S
Molecular Weight475.96 g/mol
Exact Mass475.11
IUPAC Nameethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN5O4S/c1-2-31-21(28)27-13-11-26(12-14-27)20-19(23-17-5-3-4-6-18(17)24-20)25-32(29,30)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3,(H,23,25)
InChIKeyUNOOLWVETOIFIF-UHFFFAOYSA-N
XLogP3.36
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate (CID 25036116) is ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate?
The InChIKey is UNOOLWVETOIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O4S/c1-2-31-21(28)27-13-11-26(12-14-27)20-19(23-17-5-3-4-6-18(17)24-20)25-32(29,30)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate?
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate has a molecular weight of 475.96 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 25036116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).