2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide

C19H20ClF2N3O5S — CID 154318386

IUPAC2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide
SMILESO=C(NO)C(NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C1CCNCC1
InChIInChI=1S/C19H20ClF2N3O5S/c20-12-1-3-13(4-2-12)30-18-15(21)9-14(10-16(18)22)31(28,29)25-17(19(26)24-27)11-5-7-23-8-6-11/h1-4,9-11,17,23,25,27H,5-8H2,(H,24,26)
InChIKeyQUGUFPLGTLJOKE-UHFFFAOYSA-N
MW475.90 g/mol
LogP2.56
Rot. Bonds7

About 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide

2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide (PubChem CID 154318386) has the molecular formula C19H20ClF2N3O5S and a molecular weight of 475.90 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide
PubChem CID154318386
Molecular FormulaC19H20ClF2N3O5S
Molecular Weight475.90 g/mol
Exact Mass475.08
IUPAC Name2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide
SMILESO=C(NO)C(NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C1CCNCC1
InChIInChI=1S/C19H20ClF2N3O5S/c20-12-1-3-13(4-2-12)30-18-15(21)9-14(10-16(18)22)31(28,29)25-17(19(26)24-27)11-5-7-23-8-6-11/h1-4,9-11,17,23,25,27H,5-8H2,(H,24,26)
InChIKeyQUGUFPLGTLJOKE-UHFFFAOYSA-N
XLogP2.56
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.90
LogP ≤ 52.56
H-Bond Donors ≤ 54
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)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide?
The IUPAC name of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide (CID 154318386) is 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide?
The canonical SMILES for 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide is O=C(NO)C(NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C1CCNCC1.
What is the InChIKey of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide?
The InChIKey is QUGUFPLGTLJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O5S/c20-12-1-3-13(4-2-12)30-18-15(21)9-14(10-16(18)22)31(28,29)25-17(19(26)24-27)11-5-7-23-8-6-11/h1-4,9-11,17,23,25,27H,5-8H2,(H,24,26).
What are the key properties of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide?
2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide has a molecular weight of 475.90 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-2-piperidin-4-ylacetamide is sourced from PubChem (CID 154318386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).