(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate

C18H17N3O4S — CID 18079287

IUPAC(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3nc2C)c1
InChIInChI=1S/C18H17N3O4S/c1-12-17(21-16-9-4-3-8-15(16)20-12)11-25-18(22)13-6-5-7-14(10-13)26(23,24)19-2/h3-10,19H,11H2,1-2H3
InChIKeyGEUNXIJVYQAXSW-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.20
Rot. Bonds5

About (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate

(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate (PubChem CID 18079287) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate
PubChem CID18079287
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3nc2C)c1
InChIInChI=1S/C18H17N3O4S/c1-12-17(21-16-9-4-3-8-15(16)20-12)11-25-18(22)13-6-5-7-14(10-13)26(23,24)19-2/h3-10,19H,11H2,1-2H3
InChIKeyGEUNXIJVYQAXSW-UHFFFAOYSA-N
XLogP2.20
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
[2-(trifluoromethyl)phenyl]methyl 3-(methylsulfamoyl)benzoate
CID 2607771
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 9320186
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607717
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(methylsulfamoyl)benzoate
CID 3441747
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607600
[2-(2-acetylanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2605794
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2417052
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 7854764
[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2540998

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate (CID 18079287) is (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3nc2C)c1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate?
The InChIKey is GEUNXIJVYQAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-17(21-16-9-4-3-8-15(16)20-12)11-25-18(22)13-6-5-7-14(10-13)26(23,24)19-2/h3-10,19H,11H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate?
(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate has a molecular weight of 371.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 18079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).