N-(3-piperazin-1-ylphenyl)benzenesulfonamide

C16H19N3O2S — CID 11849196

IUPACN-(3-piperazin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCNCC2)c1)c1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,16-7-2-1-3-8-16)18-14-5-4-6-15(13-14)19-11-9-17-10-12-19/h1-8,13,17-18H,9-12H2
InChIKeyKUAATZXIILUWMF-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.90
Rot. Bonds4

About N-(3-piperazin-1-ylphenyl)benzenesulfonamide

N-(3-piperazin-1-ylphenyl)benzenesulfonamide (PubChem CID 11849196) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3-piperazin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylphenyl)benzenesulfonamide
PubChem CID11849196
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(3-piperazin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCNCC2)c1)c1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,16-7-2-1-3-8-16)18-14-5-4-6-15(13-14)19-11-9-17-10-12-19/h1-8,13,17-18H,9-12H2
InChIKeyKUAATZXIILUWMF-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_H(6)', 'substructure': 'N/A'}

Analyze N-(3-piperazin-1-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
N-(3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 102430110
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-(4-nitro-3-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 22272495
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
CID 126622029
N-[2-[3-(1,4-diazepan-1-yl)phenyl]sulfonylpropyl]aniline
CID 70018254
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
CID 91141043
3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
CID 22272481
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
CID 56654455

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-piperazin-1-ylphenyl)benzenesulfonamide (CID 11849196) is N-(3-piperazin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-piperazin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-piperazin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(N2CCNCC2)c1)c1ccccc1.
What is the InChIKey of N-(3-piperazin-1-ylphenyl)benzenesulfonamide?
The InChIKey is KUAATZXIILUWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,16-7-2-1-3-8-16)18-14-5-4-6-15(13-14)19-11-9-17-10-12-19/h1-8,13,17-18H,9-12H2.
What are the key properties of N-(3-piperazin-1-ylphenyl)benzenesulfonamide?
N-(3-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-(3-piperazin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 11849196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).