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71351-01-4 molecular structure
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2,2-diphenylethane-1-sulfonyl chloride

ChemBase ID: 76194
Molecular Formular: C14H13ClO2S
Molecular Mass: 280.76982
Monoisotopic Mass: 280.03247834
SMILES and InChIs

SMILES:
S(=O)(=O)(CC(c1ccccc1)c1ccccc1)Cl
Canonical SMILES:
ClS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H13ClO2S/c15-18(16,17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey:
DYESDWUOAPVIIV-UHFFFAOYSA-N

Cite this record

CBID:76194 http://www.chembase.cn/molecule-76194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-diphenylethane-1-sulfonyl chloride
IUPAC Traditional name
2,2-diphenylethanesulfonyl chloride
Synonyms
Benzhydrylmethylsulphonyl chloride
2,2-Diphenylethylsulphonyl chloride
CAS Number
71351-01-4
MDL Number
MFCD02089493
PubChem SID
162041102
PubChem CID
3806087

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR12707 external link Add to cart Please log in.
Data Source Data ID
PubChem 3806087 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4691231  LogD (pH = 7.4) 3.4691231 
Log P 3.4691231  Molar Refractivity 74.1612 cm3
Polarizability 29.655495 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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