2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid

C21H18N2O6S — CID 31475850

IUPAC2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O6S/c24-20(25)14-22-21(26)15-10-12-17(13-11-15)30(27,28)23-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-13,23H,14H2,(H,22,26)(H,24,25)
InChIKeyXGMAMBSWHAZBLX-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.09
Rot. Bonds8

About 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid

2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid (PubChem CID 31475850) has the molecular formula C21H18N2O6S and a molecular weight of 426.45 g/mol. Its IUPAC name is 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
PubChem CID31475850
Molecular FormulaC21H18N2O6S
Molecular Weight426.45 g/mol
Exact Mass426.09
IUPAC Name2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O6S/c24-20(25)14-22-21(26)15-10-12-17(13-11-15)30(27,28)23-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-13,23H,14H2,(H,22,26)(H,24,25)
InChIKeyXGMAMBSWHAZBLX-UHFFFAOYSA-N
XLogP3.09
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
CID 68577142
(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid
CID 68771863
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900839
N-[2-oxo-2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900838
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
methyl (2R)-3-(4-hydroxyphenyl)-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 68770019
4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide
CID 112771581
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid (CID 31475850) is 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid?
The InChIKey is XGMAMBSWHAZBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6S/c24-20(25)14-22-21(26)15-10-12-17(13-11-15)30(27,28)23-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-13,23H,14H2,(H,22,26)(H,24,25).
What are the key properties of 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid?
2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid has a molecular weight of 426.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 31475850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).