(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide

C22H20N4O6S — CID 10719092

IUPAC(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C/C(=N/Oc2ccccc2)CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C22H20N4O6S/c27-22(24-28)21-14-16(25-32-19-4-2-1-3-5-19)15-26(21)33(29,30)20-8-6-17(7-9-20)31-18-10-12-23-13-11-18/h1-13,21,28H,14-15H2,(H,24,27)/b25-16-/t21-/m1/s1
InChIKeyGPLRECXXBJTJRJ-FFAHCDIZSA-N
MW468.49 g/mol
LogP2.58
Rot. Bonds7

About (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10719092) has the molecular formula C22H20N4O6S and a molecular weight of 468.49 g/mol. Its IUPAC name is (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10719092
Molecular FormulaC22H20N4O6S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC Name(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C/C(=N/Oc2ccccc2)CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C22H20N4O6S/c27-22(24-28)21-14-16(25-32-19-4-2-1-3-5-19)15-26(21)33(29,30)20-8-6-17(7-9-20)31-18-10-12-23-13-11-18/h1-13,21,28H,14-15H2,(H,24,27)/b25-16-/t21-/m1/s1
InChIKeyGPLRECXXBJTJRJ-FFAHCDIZSA-N
XLogP2.58
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Cgs-27023
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(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
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(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
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(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
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N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
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CID 10831751
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
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(2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide
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(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide
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(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10719092) is (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NO)[C@H]1C/C(=N/Oc2ccccc2)CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is GPLRECXXBJTJRJ-FFAHCDIZSA-N. The full InChI is InChI=1S/C22H20N4O6S/c27-22(24-28)21-14-16(25-32-19-4-2-1-3-5-19)15-26(21)33(29,30)20-8-6-17(7-9-20)31-18-10-12-23-13-11-18/h1-13,21,28H,14-15H2,(H,24,27)/b25-16-/t21-/m1/s1.
What are the key properties of (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10719092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).