methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate

C16H16N2O5S — CID 726578

IUPACmethyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)17-12-7-9-13(10-8-12)24(21,22)18-15-6-4-3-5-14(15)16(20)23-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyRIXNVYBBJKZXNU-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate

methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate (PubChem CID 726578) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate
PubChem CID726578
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)17-12-7-9-13(10-8-12)24(21,22)18-15-6-4-3-5-14(15)16(20)23-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyRIXNVYBBJKZXNU-UHFFFAOYSA-N
XLogP2.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate (CID 726578) is methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
The InChIKey is RIXNVYBBJKZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11(19)17-12-7-9-13(10-8-12)24(21,22)18-15-6-4-3-5-14(15)16(20)23-2/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate has a molecular weight of 348.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetamidophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 726578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).