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

C27H23NO4S — CID 10695165

IUPAC(2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23NO4S/c29-27(30)26(19-20-7-3-1-4-8-20)28-33(31,32)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-18,26,28H,19H2,(H,29,30)/t26-/m1/s1
InChIKeySHIWHCHRVQEPMU-AREMUKBSSA-N
MW457.55 g/mol
LogP4.99
Rot. Bonds8

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

(2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 10695165) has the molecular formula C27H23NO4S and a molecular weight of 457.55 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid
PubChem CID10695165
Molecular FormulaC27H23NO4S
Molecular Weight457.55 g/mol
Exact Mass457.13
IUPAC Name(2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23NO4S/c29-27(30)26(19-20-7-3-1-4-8-20)28-33(31,32)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-18,26,28H,19H2,(H,29,30)/t26-/m1/s1
InChIKeySHIWHCHRVQEPMU-AREMUKBSSA-N
XLogP4.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid (CID 10695165) is (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid is O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is SHIWHCHRVQEPMU-AREMUKBSSA-N. The full InChI is InChI=1S/C27H23NO4S/c29-27(30)26(19-20-7-3-1-4-8-20)28-33(31,32)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-18,26,28H,19H2,(H,29,30)/t26-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid?
(2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 457.55 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 10695165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).