2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid

C22H20ClNO6S — CID 68687829

IUPAC2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO6S/c23-17-5-11-20(12-6-17)31(27,28)24-18-7-9-19(10-8-18)29-13-14-30-21-4-2-1-3-16(21)15-22(25)26/h1-12,24H,13-15H2,(H,25,26)
InChIKeyPSBQNYFTXIPTAP-UHFFFAOYSA-N
MW461.92 g/mol
LogP4.23
Rot. Bonds10

About 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid

2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid (PubChem CID 68687829) has the molecular formula C22H20ClNO6S and a molecular weight of 461.92 g/mol. Its IUPAC name is 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
PubChem CID68687829
Molecular FormulaC22H20ClNO6S
Molecular Weight461.92 g/mol
Exact Mass461.07
IUPAC Name2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO6S/c23-17-5-11-20(12-6-17)31(27,28)24-18-7-9-19(10-8-18)29-13-14-30-21-4-2-1-3-16(21)15-22(25)26/h1-12,24H,13-15H2,(H,25,26)
InChIKeyPSBQNYFTXIPTAP-UHFFFAOYSA-N
XLogP4.23
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 11540637
2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68689364
[2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetyl] 2-[2-[2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetate
CID 90904973
2-[2-[2-[4-(naphthalen-2-ylsulfonylamino)phenoxy]ethoxy]phenyl]acetic acid
CID 11655897
4-[2-[2-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68690715
2-[2-[2-[4-[(2-methoxycarbonylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid;2-[2-[2-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 158268185
3-[2-[2-[4-[(2-fluorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]propanoic acid
CID 68690108
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
CID 11617608
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 4024458
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid (CID 68687829) is 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid is O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The InChIKey is PSBQNYFTXIPTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6S/c23-17-5-11-20(12-6-17)31(27,28)24-18-7-9-19(10-8-18)29-13-14-30-21-4-2-1-3-16(21)15-22(25)26/h1-12,24H,13-15H2,(H,25,26).
What are the key properties of 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid has a molecular weight of 461.92 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 68687829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).