CID 44755789
PubChem CID
44755789
Structure
Molecular Formula
Status
Non-live
Molecular Weight
326.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(diethylamino)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
InChI=1S/C17H30N2O2S/c1-6-17(4,5)15-9-11-16(12-10-15)22(20,21)18-13-14-19(7-2)8-3/h9-12,18H,6-8,13-14H2,1-5H3
SHUWXVCPXQNKOT-UHFFFAOYSA-N
CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCN(CC)CC
C17H30N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
326.5 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
326.20279938 g/mol
Property Name
Monoisotopic Mass
Property Value
326.20279938 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.8 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
403
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