N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

C18H20N2O5S — CID 11697283

IUPACN-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1
InChIInChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21)
InChIKeyLFIZWBFUWVSLOR-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.88
Rot. Bonds5

About N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 11697283) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID11697283
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1
InChIInChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21)
InChIKeyLFIZWBFUWVSLOR-UHFFFAOYSA-N
XLogP1.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 11697283) is N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1.
What is the InChIKey of N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LFIZWBFUWVSLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21).
What are the key properties of N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11697283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).