N-(4-piperazin-1-ylphenyl)benzenesulfonamide

C16H19N3O2S — CID 11849789

IUPACN-(4-piperazin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,16-4-2-1-3-5-16)18-14-6-8-15(9-7-14)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2
InChIKeyLHOHHFFMBNKDDU-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.90
Rot. Bonds4

About N-(4-piperazin-1-ylphenyl)benzenesulfonamide

N-(4-piperazin-1-ylphenyl)benzenesulfonamide (PubChem CID 11849789) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)benzenesulfonamide
PubChem CID11849789
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4-piperazin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,16-4-2-1-3-5-16)18-14-6-8-15(9-7-14)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2
InChIKeyLHOHHFFMBNKDDU-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-piperazin-1-ylphenyl)benzenesulfonamide (CID 11849789) is N-(4-piperazin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCNCC2)cc1)c1ccccc1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)benzenesulfonamide?
The InChIKey is LHOHHFFMBNKDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,16-4-2-1-3-5-16)18-14-6-8-15(9-7-14)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2.
What are the key properties of N-(4-piperazin-1-ylphenyl)benzenesulfonamide?
N-(4-piperazin-1-ylphenyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 11849789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).