(2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide

C17H16N2O5S — CID 57403620

IUPAC(2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O5S/c20-16-11-10-15(17(21)18-22)19(16)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,22H,10-11H2,(H,18,21)/t15-/m0/s1
InChIKeyTZRWLUAWTLLHBS-HNNXBMFYSA-N
MW360.39 g/mol
LogP1.54
Rot. Bonds4

About (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 57403620) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID57403620
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name(2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O5S/c20-16-11-10-15(17(21)18-22)19(16)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,22H,10-11H2,(H,18,21)/t15-/m0/s1
InChIKeyTZRWLUAWTLLHBS-HNNXBMFYSA-N
XLogP1.54
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 57403620) is (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NO)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is TZRWLUAWTLLHBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c20-16-11-10-15(17(21)18-22)19(16)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,22H,10-11H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-5-oxo-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 57403620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).