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

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Related Compounds

4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3700003
N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 7392711
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
CID 108774216
3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 27815789
4-bromo-N-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 25037574
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
4-chloro-N-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2410715
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate
CID 86633459
ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate
CID 69455568

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).