[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate

C19H21FN2O7S — CID 87888440

IUPAC[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate
SMILESO=C(NO)O[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O7S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)30(26,27)22-10-9-15(23)11-18(22)29-19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18-/m1/s1
InChIKeyOTIOIXSQKXMEEF-CRAIPNDOSA-N
MW440.45 g/mol
LogP1.99
Rot. Bonds6

About [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate

[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate (PubChem CID 87888440) has the molecular formula C19H21FN2O7S and a molecular weight of 440.45 g/mol. Its IUPAC name is [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate.

Molecular Properties

Compound Name[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate
PubChem CID87888440
Molecular FormulaC19H21FN2O7S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate
SMILESO=C(NO)O[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O7S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)30(26,27)22-10-9-15(23)11-18(22)29-19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18-/m1/s1
InChIKeyOTIOIXSQKXMEEF-CRAIPNDOSA-N
XLogP1.99
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

(3S)-4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methylidenethiomorpholine-3-carboxamide
CID 163690108
4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide
CID 57157250
N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
CID 20712390
methyl 3-[[4-[4-hydroxy-2-(hydroxycarbamoyl)piperidin-1-yl]sulfonylphenoxy]methyl]benzoate
CID 87888231
4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide
CID 85065581
(2R,4S)-4-(butylaminomethyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N,4-dihydroxypiperidine-2-carboxamide
CID 57027278
1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid
CID 18333820
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712345
[(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
5-hydroxy-1-[4-[(3,4,5-trifluorophenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333750
1-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid
CID 18333743

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate?
The IUPAC name of [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate (CID 87888440) is [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate.
What is the SMILES notation for [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate?
The canonical SMILES for [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate is O=C(NO)O[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate?
The InChIKey is OTIOIXSQKXMEEF-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H21FN2O7S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)30(26,27)22-10-9-15(23)11-18(22)29-19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18-/m1/s1.
What are the key properties of [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate?
[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate has a molecular weight of 440.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate is sourced from PubChem (CID 87888440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).