Home > Compound List > Compound details
121278-31-7 molecular structure
click picture or here to close

4-(piperazin-1-yl)benzene-1-sulfonamide

ChemBase ID: 257692
Molecular Formular: C10H15N3O2S
Molecular Mass: 241.31
Monoisotopic Mass: 241.08849774
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(N2CCNCC2)cc1)N
Canonical SMILES:
NS(=O)(=O)c1ccc(cc1)N1CCNCC1
InChI:
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)
InChIKey:
UGGDHKASBRILQW-UHFFFAOYSA-N

Cite this record

CBID:257692 http://www.chembase.cn/molecule-257692.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperazin-1-yl)benzene-1-sulfonamide
IUPAC Traditional name
4-(piperazin-1-yl)benzenesulfonamide
Synonyms
4-piperazin-1-ylbenzenesulfonamide
CAS Number
121278-31-7
MDL Number
MFCD01928044
PubChem SID
164313602
PubChem CID
901897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-39815 external link Add to cart Please log in.
Data Source Data ID
PubChem 901897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.943912  H Acceptors
H Donor LogD (pH = 5.5) -2.8342512 
LogD (pH = 7.4) -1.2936032  Log P 0.15139209 
Molar Refractivity 63.3999 cm3 Polarizability 24.921806 Å3
Polar Surface Area 75.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
219 - 221°C expand Show data source
Hydrophobicity(logP)
-0.543 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle