Home > Compound List > Compound details
6884-98-6 molecular structure
click picture or here to close

4-chloro-N-(2-ethylphenyl)benzene-1-sulfonamide

ChemBase ID: 299101
Molecular Formular: C14H14ClNO2S
Molecular Mass: 295.78446
Monoisotopic Mass: 295.04337737
SMILES and InChIs

SMILES:
CCc1ccccc1NS(=O)(=O)c1ccc(cc1)Cl
Canonical SMILES:
CCc1ccccc1NS(=O)(=O)c1ccc(cc1)Cl
InChI:
InChI=1S/C14H14ClNO2S/c1-2-11-5-3-4-6-14(11)16-19(17,18)13-9-7-12(15)8-10-13/h3-10,16H,2H2,1H3
InChIKey:
XLAJPSBESDKJHJ-UHFFFAOYSA-N

Cite this record

CBID:299101 http://www.chembase.cn/molecule-299101.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-N-(2-ethylphenyl)benzene-1-sulfonamide
IUPAC Traditional name
4-chloro-N-(2-ethylphenyl)benzenesulfonamide
Synonyms
4-Chloro-2'-ethylbenzenesulfonanilide
4-Chloro-N-(2-ethylphenyl)benzenesulfonamide
CAS Number
6884-98-6
MDL Number
MFCD00159273
PubChem SID
180684632
PubChem CID
765849

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H55468 external link Add to cart Please log in.
Data Source Data ID
PubChem 765849 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8882318  H Acceptors
H Donor LogD (pH = 5.5) 4.0213757 
LogD (pH = 7.4) 3.9165592  Log P 4.022946 
Molar Refractivity 77.3372 cm3 Polarizability 30.67038 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
97% 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