4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide

C18H25ClN2O5S — CID 10223678

IUPAC4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(=O)N1CCC(S(=O)(=O)c2ccccc2Cl)CC1)C(=O)NO
InChIInChI=1S/C18H25ClN2O5S/c1-12(2)14(18(23)20-24)11-17(22)21-9-7-13(8-10-21)27(25,26)16-6-4-3-5-15(16)19/h3-6,12-14,24H,7-11H2,1-2H3,(H,20,23)
InChIKeyLMHCXFKBZWBOQI-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.27
Rot. Bonds6

About 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide

4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide (PubChem CID 10223678) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide
PubChem CID10223678
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(=O)N1CCC(S(=O)(=O)c2ccccc2Cl)CC1)C(=O)NO
InChIInChI=1S/C18H25ClN2O5S/c1-12(2)14(18(23)20-24)11-17(22)21-9-7-13(8-10-21)27(25,26)16-6-4-3-5-15(16)19/h3-6,12-14,24H,7-11H2,1-2H3,(H,20,23)
InChIKeyLMHCXFKBZWBOQI-UHFFFAOYSA-N
XLogP2.27
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.27
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 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide?
The IUPAC name of 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide (CID 10223678) is 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide?
The canonical SMILES for 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide is CC(C)C(CC(=O)N1CCC(S(=O)(=O)c2ccccc2Cl)CC1)C(=O)NO.
What is the InChIKey of 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide?
The InChIKey is LMHCXFKBZWBOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c1-12(2)14(18(23)20-24)11-17(22)21-9-7-13(8-10-21)27(25,26)16-6-4-3-5-15(16)19/h3-6,12-14,24H,7-11H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide?
4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide has a molecular weight of 416.93 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)sulfonylpiperidin-1-yl]-N-hydroxy-4-oxo-2-propan-2-ylbutanamide is sourced from PubChem (CID 10223678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).