2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride

C20H24ClFN2O5S — CID 139932087

IUPAC2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3(CC(=O)NO)CCNCC3)cc2)ccc1F.Cl
InChIInChI=1S/C20H23FN2O5S.ClH/c1-14-12-16(4-7-18(14)21)28-15-2-5-17(6-3-15)29(26,27)20(13-19(24)23-25)8-10-22-11-9-20;/h2-7,12,22,25H,8-11,13H2,1H3,(H,23,24);1H
InChIKeyFDPOKMZMFFGYNE-UHFFFAOYSA-N
MW458.94 g/mol
LogP3.14
Rot. Bonds6

About 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride

2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride (PubChem CID 139932087) has the molecular formula C20H24ClFN2O5S and a molecular weight of 458.94 g/mol. Its IUPAC name is 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
PubChem CID139932087
Molecular FormulaC20H24ClFN2O5S
Molecular Weight458.94 g/mol
Exact Mass458.11
IUPAC Name2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3(CC(=O)NO)CCNCC3)cc2)ccc1F.Cl
InChIInChI=1S/C20H23FN2O5S.ClH/c1-14-12-16(4-7-18(14)21)28-15-2-5-17(6-3-15)29(26,27)20(13-19(24)23-25)8-10-22-11-9-20;/h2-7,12,22,25H,8-11,13H2,1H3,(H,23,24);1H
InChIKeyFDPOKMZMFFGYNE-UHFFFAOYSA-N
XLogP3.14
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 53.14
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

2-[4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-1-prop-2-ynylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
CID 139932122
benzyl 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidine-1-carboxylate
CID 21224284
2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 139746806
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 142013636
4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride
CID 159973027
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22485386
4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 158016230
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
ethyl 4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxylate;hydrochloride
CID 46938824
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 118179843
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride?
The IUPAC name of 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride (CID 139932087) is 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride.
What is the SMILES notation for 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride?
The canonical SMILES for 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride is Cc1cc(Oc2ccc(S(=O)(=O)C3(CC(=O)NO)CCNCC3)cc2)ccc1F.Cl.
What is the InChIKey of 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride?
The InChIKey is FDPOKMZMFFGYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S.ClH/c1-14-12-16(4-7-18(14)21)28-15-2-5-17(6-3-15)29(26,27)20(13-19(24)23-25)8-10-22-11-9-20;/h2-7,12,22,25H,8-11,13H2,1H3,(H,23,24);1H.
What are the key properties of 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride?
2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride has a molecular weight of 458.94 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride is sourced from PubChem (CID 139932087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).