3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid

C21H19NO4S — CID 4222

IUPAC3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)
InChIKeyJBYHBQIDTNHWJF-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.33
Rot. Bonds7

About 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid

3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid (PubChem CID 4222) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
PubChem CID4222
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)
InChIKeyJBYHBQIDTNHWJF-UHFFFAOYSA-N
XLogP3.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid (CID 4222) is 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid is O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
The InChIKey is JBYHBQIDTNHWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24).
What are the key properties of 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid?
3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid has a molecular weight of 381.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 4222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).