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

C21H17FN2O6S — CID 68577142

IUPAC2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H17FN2O6S/c22-15-7-9-16(10-8-15)30-19-4-2-1-3-18(19)24-31(28,29)17-11-5-14(6-12-17)21(27)23-13-20(25)26/h1-12,24H,13H2,(H,23,27)(H,25,26)
InChIKeyMXDVIYQSCHTUED-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.23
Rot. Bonds8

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

2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid (PubChem CID 68577142) has the molecular formula C21H17FN2O6S and a molecular weight of 444.44 g/mol. Its IUPAC name is 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
PubChem CID68577142
Molecular FormulaC21H17FN2O6S
Molecular Weight444.44 g/mol
Exact Mass444.08
IUPAC Name2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H17FN2O6S/c22-15-7-9-16(10-8-15)30-19-4-2-1-3-18(19)24-31(28,29)17-11-5-14(6-12-17)21(27)23-13-20(25)26/h1-12,24H,13H2,(H,23,27)(H,25,26)
InChIKeyMXDVIYQSCHTUED-UHFFFAOYSA-N
XLogP3.23
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid
CID 68771863
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034
N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900839
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
N-[2-oxo-2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900838
sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
CID 22992413

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid (CID 68577142) is 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid?
The InChIKey is MXDVIYQSCHTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O6S/c22-15-7-9-16(10-8-15)30-19-4-2-1-3-18(19)24-31(28,29)17-11-5-14(6-12-17)21(27)23-13-20(25)26/h1-12,24H,13H2,(H,23,27)(H,25,26).
What are the key properties of 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid?
2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid has a molecular weight of 444.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 68577142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).