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

C22H20ClNO5S — CID 14669735

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO5S/c23-18-8-12-20(13-9-18)30(27,28)24-21(17-4-2-1-3-5-17)14-16-6-10-19(11-7-16)29-15-22(25)26/h1-13,21,24H,14-15H2,(H,25,26)
InChIKeyAUCHNEYOCGPVGJ-UHFFFAOYSA-N
MW445.92 g/mol
LogP4.07
Rot. Bonds9

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

2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid (PubChem CID 14669735) has the molecular formula C22H20ClNO5S and a molecular weight of 445.92 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid
PubChem CID14669735
Molecular FormulaC22H20ClNO5S
Molecular Weight445.92 g/mol
Exact Mass445.08
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO5S/c23-18-8-12-20(13-9-18)30(27,28)24-21(17-4-2-1-3-5-17)14-16-6-10-19(11-7-16)29-15-22(25)26/h1-13,21,24H,14-15H2,(H,25,26)
InChIKeyAUCHNEYOCGPVGJ-UHFFFAOYSA-N
XLogP4.07
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.92
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid (CID 14669735) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid?
The InChIKey is AUCHNEYOCGPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5S/c23-18-8-12-20(13-9-18)30(27,28)24-21(17-4-2-1-3-5-17)14-16-6-10-19(11-7-16)29-15-22(25)26/h1-13,21,24H,14-15H2,(H,25,26).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid has a molecular weight of 445.92 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid is sourced from PubChem (CID 14669735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).