CID 34118129
PubChem CID
34118129
Structure
Molecular Formula
Status
Non-live
Molecular Weight
293.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-(4-fluorophenyl)-2,3,4-trimethylbenzenesulfonamide
InChI=1S/C15H16FNO2S/c1-10-4-9-15(12(3)11(10)2)20(18,19)17-14-7-5-13(16)6-8-14/h4-9,17H,1-3H3
KIRBGWMRVBSRRU-UHFFFAOYSA-N
CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C)C
C15H16FNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
293.4 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
293.08857809 g/mol
Property Name
Monoisotopic Mass
Property Value
293.08857809 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
412
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
Old substance
Old substance
Old substance
CONTENTS