(2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide

C18H21N3O6S2 — CID 162657943

IUPAC(2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C18H21N3O6S2/c1-28(24,25)21-12-15(11-17(21)18(22)19-23)20-29(26,27)16-9-7-14(8-10-16)13-5-3-2-4-6-13/h2-10,15,17,20,23H,11-12H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyBZIYLYICROTDCU-DOTOQJQBSA-N
MW439.52 g/mol
LogP0.54
Rot. Bonds6

About (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide (PubChem CID 162657943) has the molecular formula C18H21N3O6S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide
PubChem CID162657943
Molecular FormulaC18H21N3O6S2
Molecular Weight439.52 g/mol
Exact Mass439.09
IUPAC Name(2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C18H21N3O6S2/c1-28(24,25)21-12-15(11-17(21)18(22)19-23)20-29(26,27)16-9-7-14(8-10-16)13-5-3-2-4-6-13/h2-10,15,17,20,23H,11-12H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyBZIYLYICROTDCU-DOTOQJQBSA-N
XLogP0.54
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide (CID 162657943) is (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide is CS(=O)(=O)N1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
The InChIKey is BZIYLYICROTDCU-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H21N3O6S2/c1-28(24,25)21-12-15(11-17(21)18(22)19-23)20-29(26,27)16-9-7-14(8-10-16)13-5-3-2-4-6-13/h2-10,15,17,20,23H,11-12H2,1H3,(H,19,22)/t15-,17+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-methylsulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162657943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).