CID 29777336
PubChem CID
29777336
Structure
Molecular Formula
Status
Non-live
Molecular Weight
350.6 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3-amino-4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide
InChI=1S/C12H8Cl3N2O2S/c13-7-1-3-10(15)12(5-7)17-20(18,19)8-2-4-9(14)11(16)6-8/h1-6H,16H2/q-1
ZTTXLLYWEFKIKG-UHFFFAOYSA-N
C1=CC(=C(C=C1S(=O)(=O)[N-]C2=C(C=CC(=C2)Cl)Cl)N)Cl
C12H8Cl3N2O2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.6 g/mol
Property Name
XLogP3
Property Value
3.3
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
348.937207 g/mol
Property Name
Monoisotopic Mass
Property Value
348.937207 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
429
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