(2-methoxyphenyl) 4-(methylsulfamoyl)benzoate

C15H15NO5S — CID 51112542

IUPAC(2-methoxyphenyl) 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C15H15NO5S/c1-16-22(18,19)12-9-7-11(8-10-12)15(17)21-14-6-4-3-5-13(14)20-2/h3-10,16H,1-2H3
InChIKeyGWUUZQYEDGZBHK-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.82
Rot. Bonds5

About (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate

(2-methoxyphenyl) 4-(methylsulfamoyl)benzoate (PubChem CID 51112542) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 4-(methylsulfamoyl)benzoate
PubChem CID51112542
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name(2-methoxyphenyl) 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C15H15NO5S/c1-16-22(18,19)12-9-7-11(8-10-12)15(17)21-14-6-4-3-5-13(14)20-2/h3-10,16H,1-2H3
InChIKeyGWUUZQYEDGZBHK-UHFFFAOYSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfamoyl)benzamide
CID 43241290
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
methanesulfonic acid;[4-(methylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 20575431
methyl 2-[4-(dimethylsulfamoyl)benzoyl]oxybenzoate
CID 17391310
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670152
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3352220
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 55530805
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
CID 55404127
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate?
The IUPAC name of (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate (CID 51112542) is (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate.
What is the SMILES notation for (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate?
The canonical SMILES for (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(C(=O)Oc2ccccc2OC)cc1.
What is the InChIKey of (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate?
The InChIKey is GWUUZQYEDGZBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-16-22(18,19)12-9-7-11(8-10-12)15(17)21-14-6-4-3-5-13(14)20-2/h3-10,16H,1-2H3.
What are the key properties of (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate?
(2-methoxyphenyl) 4-(methylsulfamoyl)benzoate has a molecular weight of 321.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 4-(methylsulfamoyl)benzoate is sourced from PubChem (CID 51112542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).