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

C15H15NO4S — CID 744894

IUPAC(2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-15(18)14(11-12-7-3-1-4-8-12)16-21(19,20)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)/t14-/m0/s1
InChIKeyPICQEJDBZKDWOD-AWEZNQCLSA-N
MW305.36 g/mol
LogP1.66
Rot. Bonds6

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

(2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid (PubChem CID 744894) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid
PubChem CID744894
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-15(18)14(11-12-7-3-1-4-8-12)16-21(19,20)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)/t14-/m0/s1
InChIKeyPICQEJDBZKDWOD-AWEZNQCLSA-N
XLogP1.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid (CID 744894) is (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid?
The InChIKey is PICQEJDBZKDWOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(18)14(11-12-7-3-1-4-8-12)16-21(19,20)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid?
(2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid has a molecular weight of 305.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-3-phenylpropanoic acid is sourced from PubChem (CID 744894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).