N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide

C15H20N4O4S — CID 1127291

IUPACN-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
SMILESCC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C15H20N4O4S/c1-12(20)19(13(2)21)24(22,23)15-8-6-14(7-9-15)16-17-18-10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3/b17-16+
InChIKeyPSBCBIWXUCBOJL-WUKNDPDISA-N
MW352.42 g/mol
LogP2.25
Rot. Bonds4

About N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide

N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide (PubChem CID 1127291) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
PubChem CID1127291
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
SMILESCC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C15H20N4O4S/c1-12(20)19(13(2)21)24(22,23)15-8-6-14(7-9-15)16-17-18-10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3/b17-16+
InChIKeyPSBCBIWXUCBOJL-WUKNDPDISA-N
XLogP2.25
TPSA99.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
The IUPAC name of N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide (CID 1127291) is N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
The canonical SMILES for N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide is CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.
What is the InChIKey of N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
The InChIKey is PSBCBIWXUCBOJL-WUKNDPDISA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-12(20)19(13(2)21)24(22,23)15-8-6-14(7-9-15)16-17-18-10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3/b17-16+.
What are the key properties of N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide?
N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide has a molecular weight of 352.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 1127291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).