2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid

C17H19NO6S — CID 47060136

IUPAC2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC
InChIInChI=1S/C17H19NO6S/c1-3-24-14-7-5-4-6-13(14)18-25(21,22)16-10-12(11-17(19)20)8-9-15(16)23-2/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeyOCHZXIVSCFGCSS-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.52
Rot. Bonds8

About 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid

2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (PubChem CID 47060136) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
PubChem CID47060136
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC
InChIInChI=1S/C17H19NO6S/c1-3-24-14-7-5-4-6-13(14)18-25(21,22)16-10-12(11-17(19)20)8-9-15(16)23-2/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeyOCHZXIVSCFGCSS-UHFFFAOYSA-N
XLogP2.52
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2,5-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060124
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (CID 47060136) is 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is CCOc1ccccc1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC.
What is the InChIKey of 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The InChIKey is OCHZXIVSCFGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-3-24-14-7-5-4-6-13(14)18-25(21,22)16-10-12(11-17(19)20)8-9-15(16)23-2/h4-10,18H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid has a molecular weight of 365.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 47060136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).