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31375-11-8 molecular structure
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N-methyl-N-(1,1,2,2-tetrafluoroethyl)benzenesulfonamide

ChemBase ID: 8607
Molecular Formular: C9H9F4NO2S
Molecular Mass: 271.2318728
Monoisotopic Mass: 271.02901241
SMILES and InChIs

SMILES:
c1cccc(c1)S(=O)(=O)N(C(C(F)F)(F)F)C
Canonical SMILES:
FC(C(N(S(=O)(=O)c1ccccc1)C)(F)F)F
InChI:
InChI=1S/C9H9F4NO2S/c1-14(9(12,13)8(10)11)17(15,16)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey:
AGLGUWZOXRWJKP-UHFFFAOYSA-N

Cite this record

CBID:8607 http://www.chembase.cn/molecule-8607.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-(1,1,2,2-tetrafluoroethyl)benzenesulfonamide
IUPAC Traditional name
N-methyl-N-(1,1,2,2-tetrafluoroethyl)benzenesulfonamide
Synonyms
N-(1,1,2,2-Tetrafluoroethyl-N-methyl)benzene-sulfonamide
N-(2H-Tetrafluoroethyl)-N-methylbenzenesulphonamide 97%
CAS Number
31375-11-8
MDL Number
MFCD00047790
PubChem SID
160971914
PubChem CID
2776661

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776661 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.587173  H Acceptors
H Donor LogD (pH = 5.5) 2.341103 
LogD (pH = 7.4) 2.341103  Log P 2.341103 
Molar Refractivity 53.1348 cm3 Polarizability 20.512959 Å3
Polar Surface Area 37.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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