Home > Compound List > Compound details
93101-02-1 molecular structure
click picture or here to close

4-chloro-N-[(2Z)-1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzene-1-sulfonamide

ChemBase ID: 125167
Molecular Formular: C19H20ClN3O4S
Molecular Mass: 421.8978
Monoisotopic Mass: 421.08630482
SMILES and InChIs

SMILES:
O=[N+](c1ccc(CCN2CCCC/C/2=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)[O-]
Canonical SMILES:
Clc1ccc(cc1)S(=O)(=O)/N=C\1/CCCCN1CCc1ccc(cc1)[N+](=O)[O-]
InChI:
InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2
InChIKey:
BKRSVROQVRTSND-UHFFFAOYSA-N

Cite this record

CBID:125167 http://www.chembase.cn/molecule-125167.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-N-[(2Z)-1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzene-1-sulfonamide
4-chloro-N-{1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene}benzene-1-sulfonamide
IUPAC Traditional name
4-chloro-N-[(2Z)-1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzenesulfonamide
4-chloro-N-{1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene}benzenesulfonamide
Synonyms
4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide
1-Phenylethylpiperidylidene-2-(4-chlorophenyl)sulfonamide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9538698  LogD (pH = 7.4) 3.9539292 
Log P 3.9539301  Molar Refractivity 107.8195 cm3
Polarizability 41.802208 Å3 Polar Surface Area 92.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
110-111 °C (230-231.8°F) expand Show data source
Purity
95+% expand Show data source

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