(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide

C21H24FN3O5S — CID 10789671

IUPAC(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FN3O5S/c22-15-3-5-17(6-4-15)30-18-7-9-19(10-8-18)31(28,29)25-14-16(24-11-1-2-12-24)13-20(25)21(26)23-27/h3-10,16,20,27H,1-2,11-14H2,(H,23,26)/t16-,20+/m0/s1
InChIKeyIIDUBAKXXSWORH-OXJNMPFZSA-N
MW449.50 g/mol
LogP2.35
Rot. Bonds6

About (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide

(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide (PubChem CID 10789671) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
PubChem CID10789671
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FN3O5S/c22-15-3-5-17(6-4-15)30-18-7-9-19(10-8-18)31(28,29)25-14-16(24-11-1-2-12-24)13-20(25)21(26)23-27/h3-10,16,20,27H,1-2,11-14H2,(H,23,26)/t16-,20+/m0/s1
InChIKeyIIDUBAKXXSWORH-OXJNMPFZSA-N
XLogP2.35
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
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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Related Compounds

4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
(2R,4S)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-hydroxy-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 10742072
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
CID 10549612
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonylpiperazine-2-carboxamide
CID 140991391
[(1S)-2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl] N-hydroxycarbamate
CID 87788534
[(1R)-2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl] N-hydroxycarbamate
CID 87788508
2-[[(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carbonyl]amino]acetate
CID 8829293
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10550304
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712345

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide (CID 10789671) is (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide is O=C(NO)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The InChIKey is IIDUBAKXXSWORH-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c22-15-3-5-17(6-4-15)30-18-7-9-19(10-8-18)31(28,29)25-14-16(24-11-1-2-12-24)13-20(25)21(26)23-27/h3-10,16,20,27H,1-2,11-14H2,(H,23,26)/t16-,20+/m0/s1.
What are the key properties of (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).