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162105339 molecular structure
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N,N-dimethyl-4-{[4-(trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonamide

ChemBase ID: 100403
Molecular Formular: C14H13F3N2O3S
Molecular Mass: 346.3248296
Monoisotopic Mass: 346.05989795
SMILES and InChIs

SMILES:
n1ccc(cc1Oc1ccc(cc1)S(=O)(=O)N(C)C)C(F)(F)F
Canonical SMILES:
CN(S(=O)(=O)c1ccc(cc1)Oc1nccc(c1)C(F)(F)F)C
InChI:
InChI=1S/C14H13F3N2O3S/c1-19(2)23(20,21)12-5-3-11(4-6-12)22-13-9-10(7-8-18-13)14(15,16)17/h3-9H,1-2H3
InChIKey:
ZMFHQLWROLPAKR-UHFFFAOYSA-N

Cite this record

CBID:100403 http://www.chembase.cn/molecule-100403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-4-{[4-(trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonamide
IUPAC Traditional name
N,N-dimethyl-4-{[4-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonamide
Synonyms
2-[4-(N,N-Dimethylsulphamoyl)phenoxy]-4-(trifluoromethyl)pyridine
N,N-Dimethyl-4-{[4-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulphonamide
PubChem SID
162105339
PubChem CID
51342063

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 51342063 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7814898  LogD (pH = 7.4) 2.7815487 
Log P 2.7815495  Molar Refractivity 78.3804 cm3
Polarizability 29.94417 Å3 Polar Surface Area 59.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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