N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide

C13H18N2O5S — CID 10829071

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)NO)cc1
InChIInChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
InChIKeyWFVYENBQHIIIQE-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.74
Rot. Bonds4

About N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 10829071) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID10829071
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)NO)cc1
InChIInChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
InChIKeyWFVYENBQHIIIQE-UHFFFAOYSA-N
XLogP0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide (CID 10829071) is N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is WFVYENBQHIIIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 10829071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).