1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide

C20H23FN2O6S — CID 20712345

IUPAC1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
SMILESCc1ccc(F)cc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)NO)cc1
InChIInChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25)
InChIKeyXQUSEXYSIGIEBX-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.73
Rot. Bonds6

About 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide

1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide (PubChem CID 20712345) has the molecular formula C20H23FN2O6S and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
PubChem CID20712345
Molecular FormulaC20H23FN2O6S
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC Name1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
SMILESCc1ccc(F)cc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)NO)cc1
InChIInChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25)
InChIKeyXQUSEXYSIGIEBX-UHFFFAOYSA-N
XLogP1.73
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.73
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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Related Compounds

1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid
CID 18333821
1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712324
N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
CID 20712390
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 22182512
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid
CID 22182491
5-hydroxy-1-[4-[(3,4,5-trifluorophenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333750
(2R,3S)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxy-3-methylpiperidine-2-carboxamide
CID 10182521
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
CID 54555315
3,3-difluoro-1-[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid
CID 18333762
(2R,5R)-1-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 58619815
(3R)-1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxy-3-methylpiperidine-2-carboxamide
CID 11655819
[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate
CID 87888440

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
The IUPAC name of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide (CID 20712345) is 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
The canonical SMILES for 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide is Cc1ccc(F)cc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)NO)cc1.
What is the InChIKey of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
The InChIKey is XQUSEXYSIGIEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25).
What are the key properties of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide is sourced from PubChem (CID 20712345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).