N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide

C23H28N2O5S — CID 22485263

IUPACN-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4ccccc4)CC3)cc2)CCOCC1
InChIInChI=1S/C23H28N2O5S/c26-22(24-27)23(12-16-30-17-13-23)31(28,29)21-8-6-20(7-9-21)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19,27H,10-17H2,(H,24,26)
InChIKeyBADHAWRYSSJDAG-UHFFFAOYSA-N
MW444.55 g/mol
LogP2.90
Rot. Bonds5

About N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide (PubChem CID 22485263) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide
PubChem CID22485263
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4ccccc4)CC3)cc2)CCOCC1
InChIInChI=1S/C23H28N2O5S/c26-22(24-27)23(12-16-30-17-13-23)31(28,29)21-8-6-20(7-9-21)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19,27H,10-17H2,(H,24,26)
InChIKeyBADHAWRYSSJDAG-UHFFFAOYSA-N
XLogP2.90
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
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-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide (CID 22485263) is N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4ccccc4)CC3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is BADHAWRYSSJDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c26-22(24-27)23(12-16-30-17-13-23)31(28,29)21-8-6-20(7-9-21)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19,27H,10-17H2,(H,24,26).
What are the key properties of N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 22485263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).