CID 33781860
PubChem CID
33781860
Structure
Molecular Formula
Status
Non-live
Molecular Weight
309.8 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-(3-chlorophenyl)-2,4,5-trimethylbenzenesulfonamide
InChI=1S/C15H16ClNO2S/c1-10-7-12(3)15(8-11(10)2)20(18,19)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3
ZYHCTMSBHMSALA-UHFFFAOYSA-N
CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=CC=C2)Cl)C
C15H16ClNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
309.8 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
309.0590276 g/mol
Property Name
Monoisotopic Mass
Property Value
309.0590276 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
420
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