2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid

C20H16ClNO5S — CID 45486016

IUPAC2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H16ClNO5S/c21-15-9-10-19(27-16-6-4-5-14(11-16)12-20(23)24)18(13-15)22-28(25,26)17-7-2-1-3-8-17/h1-11,13,22H,12H2,(H,23,24)
InChIKeyXZUAUZIYVQHING-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.56
Rot. Bonds7

About 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid

2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid (PubChem CID 45486016) has the molecular formula C20H16ClNO5S and a molecular weight of 417.87 g/mol. Its IUPAC name is 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid
PubChem CID45486016
Molecular FormulaC20H16ClNO5S
Molecular Weight417.87 g/mol
Exact Mass417.04
IUPAC Name2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H16ClNO5S/c21-15-9-10-19(27-16-6-4-5-14(11-16)12-20(23)24)18(13-15)22-28(25,26)17-7-2-1-3-8-17/h1-11,13,22H,12H2,(H,23,24)
InChIKeyXZUAUZIYVQHING-UHFFFAOYSA-N
XLogP4.56
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid (CID 45486016) is 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid?
The InChIKey is XZUAUZIYVQHING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5S/c21-15-9-10-19(27-16-6-4-5-14(11-16)12-20(23)24)18(13-15)22-28(25,26)17-7-2-1-3-8-17/h1-11,13,22H,12H2,(H,23,24).
What are the key properties of 2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid?
2-[3-[2-(benzenesulfonamido)-4-chlorophenoxy]phenyl]acetic acid has a molecular weight of 417.87 g/mol, XLogP of 4.56, 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)-4-chlorophenoxy]phenyl]acetic acid is sourced from PubChem (CID 45486016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).