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

C17H18N2O4S — CID 57391413

IUPAC(2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c20-17(18-21)16-7-4-12-19(16)24(22,23)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H,18,20)/t16-/m0/s1
InChIKeyXYGPNXMBVTVKDQ-INIZCTEOSA-N
MW346.41 g/mol
LogP2.01
Rot. Bonds4

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

(2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 57391413) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID57391413
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c20-17(18-21)16-7-4-12-19(16)24(22,23)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H,18,20)/t16-/m0/s1
InChIKeyXYGPNXMBVTVKDQ-INIZCTEOSA-N
XLogP2.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 57391413) is (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NO)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is XYGPNXMBVTVKDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(18-21)16-7-4-12-19(16)24(22,23)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 57391413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).