CID 39382914
PubChem CID
39382914
Structure
Molecular Formula
Status
Non-live
Molecular Weight
284.36 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-methyl-3-piperazin-4-ium-1-ylsulfonylbenzamide
InChI=1S/C12H17N3O3S/c1-13-12(16)10-3-2-4-11(9-10)19(17,18)15-7-5-14-6-8-15/h2-4,9,14H,5-8H2,1H3,(H,13,16)/p+1
NCJMKZXWAQMZCZ-UHFFFAOYSA-O
CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2
C12H18N3O3S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
284.36 g/mol
Property Name
XLogP3-AA
Property Value
-0.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
284.10688762 g/mol
Property Name
Monoisotopic Mass
Property Value
284.10688762 g/mol
Property Name
Topological Polar Surface Area
Property Value
91.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
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
CONTENTS