ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate

C17H19NO5S — CID 894271

IUPACethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-3-22-17(19)12-23-15-8-10-16(11-9-15)24(20,21)18-14-6-4-13(2)5-7-14/h4-11,18H,3,12H2,1-2H3
InChIKeyRJPQJOIMWSGGHR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.74
Rot. Bonds7

About ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate

ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate (PubChem CID 894271) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate
PubChem CID894271
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-3-22-17(19)12-23-15-8-10-16(11-9-15)24(20,21)18-14-6-4-13(2)5-7-14/h4-11,18H,3,12H2,1-2H3
InChIKeyRJPQJOIMWSGGHR-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate (CID 894271) is ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is RJPQJOIMWSGGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-22-17(19)12-23-15-8-10-16(11-9-15)24(20,21)18-14-6-4-13(2)5-7-14/h4-11,18H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate?
ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 349.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 894271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).