ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

C17H19NO5S — CID 894308

IUPACethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C17H19NO5S/c1-3-22-13-9-11-14(12-10-13)24(20,21)18-16-8-6-5-7-15(16)17(19)23-4-2/h5-12,18H,3-4H2,1-2H3
InChIKeyLRGXJHPESRPBJJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.06
Rot. Bonds7

About ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 894308) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID894308
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C17H19NO5S/c1-3-22-13-9-11-14(12-10-13)24(20,21)18-16-8-6-5-7-15(16)17(19)23-4-2/h5-12,18H,3-4H2,1-2H3
InChIKeyLRGXJHPESRPBJJ-UHFFFAOYSA-N
XLogP3.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3,5-Bis(4-ethoxybenzenesulfonamido)benzoic acid
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3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
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2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
2-{[(4-Methylphenyl)sulfonyl]amino}-4-Phenoxybenzoic Acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 894308) is ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is LRGXJHPESRPBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-22-13-9-11-14(12-10-13)24(20,21)18-16-8-6-5-7-15(16)17(19)23-4-2/h5-12,18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 349.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 894308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).