(3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate

C26H25N3O4S — CID 1330451

IUPAC(3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C26H25N3O4S/c1-4-29(5-2)34(31,32)21-14-13-18(3)22(16-21)26(30)33-20-10-8-9-19(15-20)25-17-27-23-11-6-7-12-24(23)28-25/h6-17H,4-5H2,1-3H3
InChIKeyIBVSZQNLCUIJMM-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.85
Rot. Bonds7

About (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate

(3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate (PubChem CID 1330451) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name(3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate
PubChem CID1330451
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name(3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C26H25N3O4S/c1-4-29(5-2)34(31,32)21-14-13-18(3)22(16-21)26(30)33-20-10-8-9-19(15-20)25-17-27-23-11-6-7-12-24(23)28-25/h6-17H,4-5H2,1-3H3
InChIKeyIBVSZQNLCUIJMM-UHFFFAOYSA-N
XLogP4.85
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate 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

phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
phenyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 8765368
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
(2-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7901653
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55568413
5-morpholin-4-ylsulfonyl-2-(3-quinoxalin-2-ylphenoxy)benzamide
CID 23739791
2-[[4-(diethylsulfamoyl)benzoyl]amino]ethyl 2-phenylquinoline-4-carboxylate
CID 2328657
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 4171071
4-quinoxalin-2-ylbenzenesulfonic acid
CID 21415698
(4-chlorophenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 1330481
(4-quinoxalin-2-ylphenyl) 4-methylbenzoate
CID 1115480

Frequently Asked Questions

What is the IUPAC name of (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate (CID 1330451) is (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)c1.
What is the InChIKey of (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate?
The InChIKey is IBVSZQNLCUIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-4-29(5-2)34(31,32)21-14-13-18(3)22(16-21)26(30)33-20-10-8-9-19(15-20)25-17-27-23-11-6-7-12-24(23)28-25/h6-17H,4-5H2,1-3H3.
What are the key properties of (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate?
(3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate has a molecular weight of 475.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinoxalin-2-ylphenyl) 5-(diethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 1330451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).