CID 29787728
PubChem CID
29787728
Structure
Molecular Formula
Status
Non-live
Molecular Weight
280.71 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[(2-chloro-5-nitrophenyl)sulfonylamino]ethylazanium
InChI=1S/C8H10ClN3O4S/c9-7-2-1-6(12(13)14)5-8(7)17(15,16)11-4-3-10/h1-2,5,11H,3-4,10H2/p+1
ZYLLCQRYZSTHAE-UHFFFAOYSA-O
C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC[NH3+])Cl
C8H11ClN3O4S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.71 g/mol
Property Name
XLogP3-AA
Property Value
0.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
280.0158797 g/mol
Property Name
Monoisotopic Mass
Property Value
280.0158797 g/mol
Property Name
Topological Polar Surface Area
Property Value
128 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
364
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