ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate

C17H18N2O5S — CID 1346476

IUPACethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C17H18N2O5S/c1-3-24-17(21)13-5-4-6-15(11-13)19-25(22,23)16-9-7-14(8-10-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKeyMSGMONYUTBYKQD-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.62
Rot. Bonds6

About ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate

ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate (PubChem CID 1346476) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate
PubChem CID1346476
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Nameethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C17H18N2O5S/c1-3-24-17(21)13-5-4-6-15(11-13)19-25(22,23)16-9-7-14(8-10-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKeyMSGMONYUTBYKQD-UHFFFAOYSA-N
XLogP2.62
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate (CID 1346476) is ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate?
The InChIKey is MSGMONYUTBYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-5-4-6-15(11-13)19-25(22,23)16-9-7-14(8-10-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate?
ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate has a molecular weight of 362.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-acetamidophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 1346476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).