4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C23H27ClN2O5S — CID 46891256

IUPAC4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4ccc(Cl)cc4)CC3)cc2)CCOCC1
InChIInChI=1S/C23H27ClN2O5S/c24-19-3-1-17(2-4-19)18-9-13-26(14-10-18)20-5-7-21(8-6-20)32(29,30)23(22(27)25-28)11-15-31-16-12-23/h1-8,18,28H,9-16H2,(H,25,27)
InChIKeyFNEPKOHTWFANAW-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.55
Rot. Bonds5

About 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 46891256) has the molecular formula C23H27ClN2O5S and a molecular weight of 479.00 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID46891256
Molecular FormulaC23H27ClN2O5S
Molecular Weight479.00 g/mol
Exact Mass478.13
IUPAC Name4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4ccc(Cl)cc4)CC3)cc2)CCOCC1
InChIInChI=1S/C23H27ClN2O5S/c24-19-3-1-17(2-4-19)18-9-13-26(14-10-18)20-5-7-21(8-6-20)32(29,30)23(22(27)25-28)11-15-31-16-12-23/h1-8,18,28H,9-16H2,(H,25,27)
InChIKeyFNEPKOHTWFANAW-UHFFFAOYSA-N
XLogP3.55
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.55
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 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 46891256) is 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4ccc(Cl)cc4)CC3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is FNEPKOHTWFANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5S/c24-19-3-1-17(2-4-19)18-9-13-26(14-10-18)20-5-7-21(8-6-20)32(29,30)23(22(27)25-28)11-15-31-16-12-23/h1-8,18,28H,9-16H2,(H,25,27).
What are the key properties of 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 479.00 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 46891256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).