methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

C23H19ClN4O4S — CID 1112701

IUPACmethyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
SMILESCOC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C23H19ClN4O4S/c1-14-7-10-16(11-8-14)33(30,31)28-22-21(26-19-5-3-4-6-20(19)27-22)25-15-9-12-18(24)17(13-15)23(29)32-2/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyALNZHONMYFWNJK-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.92
Rot. Bonds6

About methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate (PubChem CID 1112701) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
PubChem CID1112701
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC Namemethyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
SMILESCOC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C23H19ClN4O4S/c1-14-7-10-16(11-8-14)33(30,31)28-22-21(26-19-5-3-4-6-20(19)27-22)25-15-9-12-18(24)17(13-15)23(29)32-2/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyALNZHONMYFWNJK-UHFFFAOYSA-N
XLogP4.92
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate with MolForge

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Related Compounds

Ethyl 4-[(3-{[(4-chlorophenyl)sulfonyl]amino}quinoxalin-2-yl)amino]benzoate
CID 4459676
4-{[3-(4-Chlorobenzenesulfonamido)-7-methylquinoxalin-2-YL]amino}benzoic acid
CID 15991147
3-{[(3Z)-3-{[(4-methoxyphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoic acid
CID 2068808
3-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic Acid
CID 1395652
3-((3-(Phenylsulfonamido)quinoxalin-2-yl)amino)benzoic acid
CID 1982333
3-[[3-[(3-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic Acid
CID 1390606
Methyl 2-chloro-5-({3-[(phenylsulfonyl)amino]-2-quinoxalinyl}amino)benzoate
CID 1285939
Ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1409804
Propyl 4-[(3-{[(4-fluorophenyl)sulfonyl]amino}quinoxalin-2-yl)amino]benzoate
CID 1995023
Ethyl 3-[(3-{[(3-methylphenyl)sulfonyl]amino}quinoxalin-2-yl)amino]benzoate
CID 1392219
Propan-2-YL 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-YL]amino}benzoate
CID 1015892
3-[(3-{[(4-Methylphenyl)sulfonyl]amino}-2-quinoxalinyl)amino]benzoic acid
CID 1069149

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate (CID 1112701) is methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate is COC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The InChIKey is ALNZHONMYFWNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-14-7-10-16(11-8-14)33(30,31)28-22-21(26-19-5-3-4-6-20(19)27-22)25-15-9-12-18(24)17(13-15)23(29)32-2/h3-13H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate has a molecular weight of 482.95 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate is sourced from PubChem (CID 1112701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).