2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid

C15H15NO5S — CID 3115793

IUPAC2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H15NO5S/c17-14(11-7-3-1-4-8-11)13(15(18)19)16-22(20,21)12-9-5-2-6-10-12/h1-10,13-14,16-17H,(H,18,19)
InChIKeyRIQLMDXNQFFCCH-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.15
Rot. Bonds6

About 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid

2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid (PubChem CID 3115793) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid
PubChem CID3115793
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H15NO5S/c17-14(11-7-3-1-4-8-11)13(15(18)19)16-22(20,21)12-9-5-2-6-10-12/h1-10,13-14,16-17H,(H,18,19)
InChIKeyRIQLMDXNQFFCCH-UHFFFAOYSA-N
XLogP1.15
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid (CID 3115793) is 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid is O=C(O)C(NS(=O)(=O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is RIQLMDXNQFFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c17-14(11-7-3-1-4-8-11)13(15(18)19)16-22(20,21)12-9-5-2-6-10-12/h1-10,13-14,16-17H,(H,18,19).
What are the key properties of 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid?
2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 321.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 3115793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).