4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C26H27ClN2O6S — CID 11734162

IUPAC4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30)
InChIKeyWZTNVCMELDPHHH-UHFFFAOYSA-N
MW531.03 g/mol
LogP4.45
Rot. Bonds8

About 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 11734162) has the molecular formula C26H27ClN2O6S and a molecular weight of 531.03 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID11734162
Molecular FormulaC26H27ClN2O6S
Molecular Weight531.03 g/mol
Exact Mass530.13
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30)
InChIKeyWZTNVCMELDPHHH-UHFFFAOYSA-N
XLogP4.45
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.03
LogP ≤ 54.45
H-Bond Donors ≤ 52
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

N-hydroxy-1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 54140818
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide
CID 22485255
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
1-[1-benzyl-4-[4-(4-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]-2-hydroxyethanone
CID 162254369
1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 15997698
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 10203115
ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 3754898
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine-4-carboxylic acid
CID 11015396
methyl 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]methyl]benzoate
CID 11214204
1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 11261471
4-[4-(3,4-dimethoxyphenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide;hydrochloride
CID 131723836

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 11734162) is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WZTNVCMELDPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30).
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 531.03 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 11734162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).