CID 47121789
PubChem CID
47121789
Structure
Molecular Formula
Status
Non-live
Molecular Weight
302.35 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2-methoxy-5-nitro-N-pentan-2-ylbenzenesulfonamide
InChI=1S/C12H18N2O5S/c1-4-5-9(2)13-20(17,18)12-8-10(14(15)16)6-7-11(12)19-3/h6-9,13H,4-5H2,1-3H3
KRAUCMVXYHEPMC-UHFFFAOYSA-N
CCCC(C)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC
C12H18N2O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
302.35 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
302.09364285 g/mol
Property Name
Monoisotopic Mass
Property Value
302.09364285 g/mol
Property Name
Topological Polar Surface Area
Property Value
110 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
415
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
1
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