2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide

C13H19N3O4S — CID 54581108

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO
InChIInChI=1S/C13H19N3O4S/c17-13(14-18)10-15-6-8-16(9-7-15)21(19,20)11-12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H,14,17)
InChIKeyGJSGOJSGVIYUQD-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.36
Rot. Bonds5

About 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide

2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide (PubChem CID 54581108) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide
PubChem CID54581108
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO
InChIInChI=1S/C13H19N3O4S/c17-13(14-18)10-15-6-8-16(9-7-15)21(19,20)11-12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H,14,17)
InChIKeyGJSGOJSGVIYUQD-UHFFFAOYSA-N
XLogP-0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.36
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 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide (CID 54581108) is 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide is O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NO.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide?
The InChIKey is GJSGOJSGVIYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(14-18)10-15-6-8-16(9-7-15)21(19,20)11-12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H,14,17).
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide?
2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide has a molecular weight of 313.38 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide is sourced from PubChem (CID 54581108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).