2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid

C17H16N2O5S — CID 67938134

IUPAC2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)NCCc2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O5S/c18-11-14-4-6-16(7-5-14)25(22,23)19-9-8-13-2-1-3-15(10-13)24-12-17(20)21/h1-7,10,19H,8-9,12H2,(H,20,21)
InChIKeyAZAZBMWVSUAEDF-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.54
Rot. Bonds8

About 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid

2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid (PubChem CID 67938134) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid
PubChem CID67938134
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)NCCc2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O5S/c18-11-14-4-6-16(7-5-14)25(22,23)19-9-8-13-2-1-3-15(10-13)24-12-17(20)21/h1-7,10,19H,8-9,12H2,(H,20,21)
InChIKeyAZAZBMWVSUAEDF-UHFFFAOYSA-N
XLogP1.54
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
(2S)-2-[[2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]acetyl]amino]-3-phenylpropanoic acid
CID 67942585
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126117629
4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide
CID 173342920
N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4852291
N-(2,6-dichlorophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126122414
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
2-[4-(pent-4-ynylsulfamoyl)phenoxy]acetic acid
CID 106220067
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
N-(2-methylpropyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126119881

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid (CID 67938134) is 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid is N#Cc1ccc(S(=O)(=O)NCCc2cccc(OCC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid?
The InChIKey is AZAZBMWVSUAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c18-11-14-4-6-16(7-5-14)25(22,23)19-9-8-13-2-1-3-15(10-13)24-12-17(20)21/h1-7,10,19H,8-9,12H2,(H,20,21).
What are the key properties of 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid?
2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid has a molecular weight of 360.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 67938134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).