2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid

C22H19FN2O6S — CID 59403224

IUPAC2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c(CNS(=O)(=O)F)c1
InChIInChI=1S/C22H19FN2O6S/c23-32(29,30)24-14-17-12-15(13-21(26)27)6-11-20(17)31-19-9-7-18(8-10-19)25-22(28)16-4-2-1-3-5-16/h1-12,24H,13-14H2,(H,25,28)(H,26,27)
InChIKeyVKFGLDFOXJSVJT-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.66
Rot. Bonds9

About 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid

2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid (PubChem CID 59403224) has the molecular formula C22H19FN2O6S and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid
PubChem CID59403224
Molecular FormulaC22H19FN2O6S
Molecular Weight458.47 g/mol
Exact Mass458.09
IUPAC Name2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c(CNS(=O)(=O)F)c1
InChIInChI=1S/C22H19FN2O6S/c23-32(29,30)24-14-17-12-15(13-21(26)27)6-11-20(17)31-19-9-7-18(8-10-19)25-22(28)16-4-2-1-3-5-16/h1-12,24H,13-14H2,(H,25,28)(H,26,27)
InChIKeyVKFGLDFOXJSVJT-UHFFFAOYSA-N
XLogP3.66
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[(3-chlorobenzoyl)amino]phenoxy]-3-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]acetic acid
CID 59403222
2-[4-[4-[(3,4-dichlorobenzoyl)amino]phenoxy]-3-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 24822361
2-[3-chloro-4-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenoxy]phenyl]acetic acid
CID 70985116
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
2-(4-benzamidophenoxy)acetic acid
CID 3830392
4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
CID 3407821
2-[4-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3-[[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]methyl]phenyl]acetic acid
CID 59403186
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
(4-benzamidophenyl) acetate
CID 34734144
N-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid (CID 59403224) is 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c(CNS(=O)(=O)F)c1.
What is the InChIKey of 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid?
The InChIKey is VKFGLDFOXJSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O6S/c23-32(29,30)24-14-17-12-15(13-21(26)27)6-11-20(17)31-19-9-7-18(8-10-19)25-22(28)16-4-2-1-3-5-16/h1-12,24H,13-14H2,(H,25,28)(H,26,27).
What are the key properties of 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid?
2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid has a molecular weight of 458.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzamidophenoxy)-3-[(fluorosulfonylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 59403224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).