CID 47310675
PubChem CID
47310675
Structure
Molecular Formula
Status
Non-live
Molecular Weight
301.29 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2,6-difluoro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
InChI=1S/C13H10F3NO2S/c1-17(10-7-5-9(14)6-8-10)20(18,19)13-11(15)3-2-4-12(13)16/h2-8H,1H3
RPJRRKGVFXJQNO-UHFFFAOYSA-N
CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC=C2F)F
C13H10F3NO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
301.29 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
301.03843422 g/mol
Property Name
Monoisotopic Mass
Property Value
301.03843422 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.8 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
408
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS