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

C28H25NO6S — CID 11540637

IUPAC2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO6S/c30-28(31)20-23-8-4-5-9-27(23)35-19-18-34-25-14-12-24(13-15-25)29-36(32,33)26-16-10-22(11-17-26)21-6-2-1-3-7-21/h1-17,29H,18-20H2,(H,30,31)
InChIKeyWVDVEGFOLVWBIK-UHFFFAOYSA-N
MW503.58 g/mol
LogP5.24
Rot. Bonds11

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

2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid (PubChem CID 11540637) has the molecular formula C28H25NO6S and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
PubChem CID11540637
Molecular FormulaC28H25NO6S
Molecular Weight503.58 g/mol
Exact Mass503.14
IUPAC Name2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO6S/c30-28(31)20-23-8-4-5-9-27(23)35-19-18-34-25-14-12-24(13-15-25)29-36(32,33)26-16-10-22(11-17-26)21-6-2-1-3-7-21/h1-17,29H,18-20H2,(H,30,31)
InChIKeyWVDVEGFOLVWBIK-UHFFFAOYSA-N
XLogP5.24
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.58
LogP ≤ 55.24
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-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68687829
2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68689364
2-[2-[2-[4-(naphthalen-2-ylsulfonylamino)phenoxy]ethoxy]phenyl]acetic acid
CID 11655897
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
[2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetyl] 2-[2-[2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetate
CID 90904973
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
3-[2-[2-[4-[(2-fluorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]propanoic acid
CID 68690108
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
4-[2-[2-(benzenesulfonamido)phenoxy]ethoxy]benzoic acid
CID 68688333
2-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68688879

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid (CID 11540637) is 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid is O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
The InChIKey is WVDVEGFOLVWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6S/c30-28(31)20-23-8-4-5-9-27(23)35-19-18-34-25-14-12-24(13-15-25)29-36(32,33)26-16-10-22(11-17-26)21-6-2-1-3-7-21/h1-17,29H,18-20H2,(H,30,31).
What are the key properties of 2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid?
2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid has a molecular weight of 503.58 g/mol, XLogP of 5.24, 11 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-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 11540637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).