CID 47358720
PubChem CID
47358720
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.38 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-butyl-N,4,5-trimethyl-2-nitrobenzenesulfonamide
InChI=1S/C13H20N2O4S/c1-5-6-7-14(4)20(18,19)13-9-11(3)10(2)8-12(13)15(16)17/h8-9H,5-7H2,1-4H3
BKNANKVEFZXFKI-UHFFFAOYSA-N
CCCCN(C)S(=O)(=O)C1=C(C=C(C(=C1)C)C)[N+](=O)[O-]
C13H20N2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.38 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
300.11437830 g/mol
Property Name
Monoisotopic Mass
Property Value
300.11437830 g/mol
Property Name
Topological Polar Surface Area
Property Value
91.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
427
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