CID 44788304
PubChem CID
44788304
Structure
Molecular Formula
Status
Non-live
Molecular Weight
398.9 g/mol
Dates
- Create:2010-03-15
Chemical Structure Depiction
N-[1-(2-adamantyl)ethyl]-2-chloro-5-nitrobenzenesulfonamide
InChI=1S/C18H23ClN2O4S/c1-10(18-13-5-11-4-12(7-13)8-14(18)6-11)20-26(24,25)17-9-15(21(22)23)2-3-16(17)19/h2-3,9-14,18,20H,4-8H2,1H3
ZZLDRNFQFREGIB-UHFFFAOYSA-N
CC(C1C2CC3CC(C2)CC1C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
C18H23ClN2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
398.9 g/mol
Property Name
XLogP3-AA
Property Value
5.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
398.1067061 g/mol
Property Name
Monoisotopic Mass
Property Value
398.1067061 g/mol
Property Name
Topological Polar Surface Area
Property Value
100 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
631
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
Old substance
CONTENTS