2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid

C15H15NO5S — CID 23470953

IUPAC2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c17-15(18)11-21-13-8-6-12(7-9-13)10-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,17,18)
InChIKeyAAHKWQIQGBLNDI-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.63
Rot. Bonds7

About 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid

2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid (PubChem CID 23470953) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
PubChem CID23470953
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c17-15(18)11-21-13-8-6-12(7-9-13)10-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,17,18)
InChIKeyAAHKWQIQGBLNDI-UHFFFAOYSA-N
XLogP1.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
CID 115405544
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid (CID 23470953) is 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid is O=C(O)COc1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid?
The InChIKey is AAHKWQIQGBLNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c17-15(18)11-21-13-8-6-12(7-9-13)10-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,17,18).
What are the key properties of 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid?
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid is sourced from PubChem (CID 23470953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).