4-piperazin-1-ylbenzenesulfonamide

C10H15N3O2S — CID 901897

IUPAC4-piperazin-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H15N3O2S/c11-16(14,15)10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15)
InChIKeyUGGDHKASBRILQW-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.26
Rot. Bonds2

About 4-piperazin-1-ylbenzenesulfonamide

4-piperazin-1-ylbenzenesulfonamide (PubChem CID 901897) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-piperazin-1-ylbenzenesulfonamide
PubChem CID901897
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-piperazin-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H15N3O2S/c11-16(14,15)10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15)
InChIKeyUGGDHKASBRILQW-UHFFFAOYSA-N
XLogP-0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 4-piperazin-1-ylbenzenesulfonamide (CID 901897) is 4-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 4-piperazin-1-ylbenzenesulfonamide is NS(=O)(=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 4-piperazin-1-ylbenzenesulfonamide?
The InChIKey is UGGDHKASBRILQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-16(14,15)10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15).
What are the key properties of 4-piperazin-1-ylbenzenesulfonamide?
4-piperazin-1-ylbenzenesulfonamide has a molecular weight of 241.32 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 901897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).