(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C12H16N2O5S — CID 71817136

IUPAC(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O5S/c1-19-9-4-6-10(7-5-9)20(17,18)14-8-2-3-11(14)12(15)13-16/h4-7,11,16H,2-3,8H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyFRNDBEYBKGOTNX-LLVKDONJSA-N
MW300.34 g/mol
LogP0.35
Rot. Bonds4

About (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 71817136) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID71817136
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O5S/c1-19-9-4-6-10(7-5-9)20(17,18)14-8-2-3-11(14)12(15)13-16/h4-7,11,16H,2-3,8H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyFRNDBEYBKGOTNX-LLVKDONJSA-N
XLogP0.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.35
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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Related Compounds

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
N-Hydroxy-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 46829322
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide
CID 10445302
MMP-3 Inhibitor VIII
CID 10549329
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
Hydroxamate 27
CID 10591505
2-[(2,2,2-Trifluoroethyl)[(4-methoxyphenyl)sulfonyl]amino]acetohydroximic acid
CID 10593373

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 71817136) is (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FRNDBEYBKGOTNX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-19-9-4-6-10(7-5-9)20(17,18)14-8-2-3-11(14)12(15)13-16/h4-7,11,16H,2-3,8H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71817136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).