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CID 39362116

PubChem CID
39362116
Structure
CID 39362116_small.png
Molecular Formula
Status
Non-live
Molecular Weight
262.30 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 39362116.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(2R)-2-aminooxypropyl]-4-fluoro-2-methylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C10H15FN2O3S/c1-7-5-9(11)3-4-10(7)17(14,15)13-6-8(2)16-12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1

2.1.3 InChIKey

QYRNNNPRJZKFIX-MRVPVSSYSA-N

2.1.4 SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC[C@@H](C)ON

2.2 Molecular Formula

C10H15FN2O3S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
262.30 g/mol
Property Name
XLogP3-AA
Property Value
0.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
262.07874168 g/mol
Property Name
Monoisotopic Mass
Property Value
262.07874168 g/mol
Property Name
Topological Polar Surface Area
Property Value
89.8 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
331
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

5 Information Sources

CONTENTS