2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid

C16H17NO6S — CID 1260151

IUPAC2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO6S/c1-2-22-13-7-9-15(10-8-13)24(20,21)17-12-3-5-14(6-4-12)23-11-16(18)19/h3-10,17H,2,11H2,1H3,(H,18,19)
InChIKeyHHVFQCSRFJEFKU-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.35
Rot. Bonds8

About 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid

2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid (PubChem CID 1260151) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
PubChem CID1260151
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO6S/c1-2-22-13-7-9-15(10-8-13)24(20,21)17-12-3-5-14(6-4-12)23-11-16(18)19/h3-10,17H,2,11H2,1H3,(H,18,19)
InChIKeyHHVFQCSRFJEFKU-UHFFFAOYSA-N
XLogP2.35
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid (CID 1260151) is 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid is CCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid?
The InChIKey is HHVFQCSRFJEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-2-22-13-7-9-15(10-8-13)24(20,21)17-12-3-5-14(6-4-12)23-11-16(18)19/h3-10,17H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid?
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid has a molecular weight of 351.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid is sourced from PubChem (CID 1260151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).