2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide

C19H21ClN2O6S — CID 20613325

IUPAC2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1C(=O)NO
InChIInChI=1S/C19H21ClN2O6S/c1-27-16-3-2-4-17(18(16)19(23)21-24)29(25,26)22-11-9-15(10-12-22)28-14-7-5-13(20)6-8-14/h2-8,15,24H,9-12H2,1H3,(H,21,23)
InChIKeyGBSJVKNAUHIYJB-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.70
Rot. Bonds6

About 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide

2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide (PubChem CID 20613325) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
PubChem CID20613325
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC Name2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1C(=O)NO
InChIInChI=1S/C19H21ClN2O6S/c1-27-16-3-2-4-17(18(16)19(23)21-24)29(25,26)22-11-9-15(10-12-22)28-14-7-5-13(20)6-8-14/h2-8,15,24H,9-12H2,1H3,(H,21,23)
InChIKeyGBSJVKNAUHIYJB-UHFFFAOYSA-N
XLogP2.70
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.70
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 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide?
The IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide (CID 20613325) is 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide?
The canonical SMILES for 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide is COc1cccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1C(=O)NO.
What is the InChIKey of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide?
The InChIKey is GBSJVKNAUHIYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c1-27-16-3-2-4-17(18(16)19(23)21-24)29(25,26)22-11-9-15(10-12-22)28-14-7-5-13(20)6-8-14/h2-8,15,24H,9-12H2,1H3,(H,21,23).
What are the key properties of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide?
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide has a molecular weight of 440.91 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 20613325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).