2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid

C20H15Cl2NO5S — CID 59644732

IUPAC2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H15Cl2NO5S/c21-14-8-9-19(16(22)12-14)29(26,27)23-17-6-1-2-7-18(17)28-15-5-3-4-13(10-15)11-20(24)25/h1-10,12,23H,11H2,(H,24,25)
InChIKeyMOPXRLKDQNFEHT-UHFFFAOYSA-N
MW452.32 g/mol
LogP5.21
Rot. Bonds7

About 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid

2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid (PubChem CID 59644732) has the molecular formula C20H15Cl2NO5S and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
PubChem CID59644732
Molecular FormulaC20H15Cl2NO5S
Molecular Weight452.32 g/mol
Exact Mass451.00
IUPAC Name2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H15Cl2NO5S/c21-14-8-9-19(16(22)12-14)29(26,27)23-17-6-1-2-7-18(17)28-15-5-3-4-13(10-15)11-20(24)25/h1-10,12,23H,11H2,(H,24,25)
InChIKeyMOPXRLKDQNFEHT-UHFFFAOYSA-N
XLogP5.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.32
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid (CID 59644732) is 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid?
The InChIKey is MOPXRLKDQNFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO5S/c21-14-8-9-19(16(22)12-14)29(26,27)23-17-6-1-2-7-18(17)28-15-5-3-4-13(10-15)11-20(24)25/h1-10,12,23H,11H2,(H,24,25).
What are the key properties of 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid?
2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid has a molecular weight of 452.32 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59644732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).