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874781-09-6 molecular structure
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4-(difluoromethoxy)benzene-1-sulfonamide

ChemBase ID: 797014
Molecular Formular: C7H7F2NO3S
Molecular Mass: 223.1971864
Monoisotopic Mass: 223.01147053
SMILES and InChIs

SMILES:
c1(ccc(cc1)OC(F)F)S(=O)(=O)N
Canonical SMILES:
FC(Oc1ccc(cc1)S(=O)(=O)N)F
InChI:
InChI=1S/C7H7F2NO3S/c8-7(9)13-5-1-3-6(4-2-5)14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKey:
BBBQHNZWCPUJNW-UHFFFAOYSA-N

Cite this record

CBID:797014 http://www.chembase.cn/molecule-797014.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(difluoromethoxy)benzene-1-sulfonamide
IUPAC Traditional name
4-(difluoromethoxy)benzenesulfonamide
Synonyms
4-(DifluoroMethoxy)benzenesulfonaMide
CAS Number
874781-09-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5341 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5341 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.400931  H Acceptors
H Donor LogD (pH = 5.5) 1.3483588 
LogD (pH = 7.4) 1.3479798  Log P 1.3483635 
Molar Refractivity 44.688 cm3 Polarizability 17.87164 Å3
Polar Surface Area 69.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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