ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate

C17H19NO5S — CID 95969690

IUPACethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H19NO5S/c1-4-23-17(19)13-7-5-6-8-14(13)18-24(20,21)16-11-12(2)9-10-15(16)22-3/h5-11,18H,4H2,1-3H3
InChIKeyMLTJCGFNRMDCQS-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.98
Rot. Bonds6

About ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate

ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate (PubChem CID 95969690) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
PubChem CID95969690
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H19NO5S/c1-4-23-17(19)13-7-5-6-8-14(13)18-24(20,21)16-11-12(2)9-10-15(16)22-3/h5-11,18H,4H2,1-3H3
InChIKeyMLTJCGFNRMDCQS-UHFFFAOYSA-N
XLogP2.98
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
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methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
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methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
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methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
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ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
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ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941009
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
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2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate (CID 95969690) is ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The InChIKey is MLTJCGFNRMDCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-4-23-17(19)13-7-5-6-8-14(13)18-24(20,21)16-11-12(2)9-10-15(16)22-3/h5-11,18H,4H2,1-3H3.
What are the key properties of ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate has a molecular weight of 349.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 95969690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).