2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid

C20H17NO5S — CID 59644626

IUPAC2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17NO5S/c22-20(23)14-15-7-6-8-16(13-15)26-19-12-5-4-11-18(19)21-27(24,25)17-9-2-1-3-10-17/h1-13,21H,14H2,(H,22,23)
InChIKeyYVKIWFSALXZQGO-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.91
Rot. Bonds7

About 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid

2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid (PubChem CID 59644626) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid
PubChem CID59644626
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17NO5S/c22-20(23)14-15-7-6-8-16(13-15)26-19-12-5-4-11-18(19)21-27(24,25)17-9-2-1-3-10-17/h1-13,21H,14H2,(H,22,23)
InChIKeyYVKIWFSALXZQGO-UHFFFAOYSA-N
XLogP3.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(4-Chloro-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486016
3-[2-(4-Chlorophenylsulfonylamino)-4-aminophenoxy]phenylacetic acid
CID 45486034
2-(3-(4-Carbamoyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486044
2-(3-(4-Acetyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486095
3-[4-[[2-(3-Methylphenoxy)phenyl]sulfamoyl]phenyl]propanoic acid
CID 9238203
3-[4-[[2-(4-Ethoxyphenoxy)phenyl]sulfamoyl]phenyl]propanoic acid
CID 16308179
2-(3-(4-(Ethylcarbamoyl)-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486094
2-(3-(4-Methoxy-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486017
2-[3-[2-[(2,4-Dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 59644732
3-[(2-Phenoxyphenyl)sulfamoyl]benzoic acid
CID 2466116
3-[4-[(4-Phenylmethoxyphenyl)sulfamoyl]phenyl]propanoic acid
CID 8933589
3-[4-[[4-(4-Ethoxyphenoxy)phenyl]sulfamoyl]phenyl]propanoic acid
CID 16278217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid (CID 59644626) is 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
The InChIKey is YVKIWFSALXZQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c22-20(23)14-15-7-6-8-16(13-15)26-19-12-5-4-11-18(19)21-27(24,25)17-9-2-1-3-10-17/h1-13,21H,14H2,(H,22,23).
What are the key properties of 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid has a molecular weight of 383.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(benzenesulfonamido)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59644626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).