methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate

C22H17ClN4O4S — CID 1285939

IUPACmethyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H17ClN4O4S/c1-31-22(28)16-13-14(11-12-17(16)23)24-20-21(26-19-10-6-5-9-18(19)25-20)27-32(29,30)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)(H,26,27)
InChIKeySONSKLWOVFWLFJ-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.61
Rot. Bonds6

About methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate

methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate (PubChem CID 1285939) has the molecular formula C22H17ClN4O4S and a molecular weight of 468.92 g/mol. Its IUPAC name is methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate
PubChem CID1285939
Molecular FormulaC22H17ClN4O4S
Molecular Weight468.92 g/mol
Exact Mass468.07
IUPAC Namemethyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H17ClN4O4S/c1-31-22(28)16-13-14(11-12-17(16)23)24-20-21(26-19-10-6-5-9-18(19)25-20)27-32(29,30)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)(H,26,27)
InChIKeySONSKLWOVFWLFJ-UHFFFAOYSA-N
XLogP4.61
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate?
The IUPAC name of methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate (CID 1285939) is methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate.
What is the SMILES notation for methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate?
The canonical SMILES for methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate is COC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate?
The InChIKey is SONSKLWOVFWLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4S/c1-31-22(28)16-13-14(11-12-17(16)23)24-20-21(26-19-10-6-5-9-18(19)25-20)27-32(29,30)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)(H,26,27).
What are the key properties of methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate?
methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate has a molecular weight of 468.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-2-chlorobenzoate is sourced from PubChem (CID 1285939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).