3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

C22H17N4O5S- — CID 2068807

IUPAC3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C22H18N4O5S/c1-31-16-9-11-17(12-10-16)32(29,30)26-21-20(24-18-7-2-3-8-19(18)25-21)23-15-6-4-5-14(13-15)22(27)28/h2-13H,1H3,(H,23,24)(H,25,26)(H,27,28)/p-1
InChIKeySMCUXBJQECRQAC-UHFFFAOYSA-M
MW449.47 g/mol
LogP2.55
Rot. Bonds7

About 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate (PubChem CID 2068807) has the molecular formula C22H17N4O5S- and a molecular weight of 449.47 g/mol. Its IUPAC name is 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate.

Molecular Properties

Compound Name3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
PubChem CID2068807
Molecular FormulaC22H17N4O5S-
Molecular Weight449.47 g/mol
Exact Mass449.09
IUPAC Name3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C22H18N4O5S/c1-31-16-9-11-17(12-10-16)32(29,30)26-21-20(24-18-7-2-3-8-19(18)25-21)23-15-6-4-5-14(13-15)22(27)28/h2-13H,1H3,(H,23,24)(H,25,26)(H,27,28)/p-1
InChIKeySMCUXBJQECRQAC-UHFFFAOYSA-M
XLogP2.55
TPSA133.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The IUPAC name of 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate (CID 2068807) is 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate.
What is the SMILES notation for 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The canonical SMILES for 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate is COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1.
What is the InChIKey of 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The InChIKey is SMCUXBJQECRQAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N4O5S/c1-31-16-9-11-17(12-10-16)32(29,30)26-21-20(24-18-7-2-3-8-19(18)25-21)23-15-6-4-5-14(13-15)22(27)28/h2-13H,1H3,(H,23,24)(H,25,26)(H,27,28)/p-1.
What are the key properties of 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate has a molecular weight of 449.47 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate is sourced from PubChem (CID 2068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).