CID 47439800
PubChem CID
47439800
Structure
Molecular Formula
Status
Non-live
Molecular Weight
315.8 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-methoxybenzenesulfonamide
InChI=1S/C14H18ClNO3S/c1-19-14-8-7-12(9-13(14)15)20(17,18)16-10-11-5-3-2-4-6-11/h2-3,7-9,11,16H,4-6,10H2,1H3
OMNYBWRIGSAGPN-UHFFFAOYSA-N
COC1=C(C=C(C=C1)S(=O)(=O)NCC2CCC=CC2)Cl
C14H18ClNO3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
315.8 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
5
Property Name
Exact Mass
Property Value
315.0695923 g/mol
Property Name
Monoisotopic Mass
Property Value
315.0695923 g/mol
Property Name
Topological Polar Surface Area
Property Value
63.8 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
432
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
CONTENTS