CID 39086906
PubChem CID
39086906
Structure
Molecular Formula
Status
Non-live
Molecular Weight
299.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
4-tert-butyl-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
InChI=1S/C15H25NO3S/c1-11(2)14(10-17)16-20(18,19)13-8-6-12(7-9-13)15(3,4)5/h6-9,11,14,16-17H,10H2,1-5H3/t14-/m0/s1
CQZFTXPFORZVNV-AWEZNQCLSA-N
CC(C)[C@H](CO)NS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C
C15H25NO3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.4 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
6
Property Name
Exact Mass
Property Value
299.15551483 g/mol
Property Name
Monoisotopic Mass
Property Value
299.15551483 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.8 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
384
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
CONTENTS