CID 47439892
PubChem CID
47439892
Structure
Molecular Formula
Status
Non-live
Molecular Weight
299.8 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylbenzenesulfonamide
InChI=1S/C14H18ClNO2S/c1-11-13(15)8-5-9-14(11)19(17,18)16-10-12-6-3-2-4-7-12/h2-3,5,8-9,12,16H,4,6-7,10H2,1H3
MBNYBGSMMAGMCL-UHFFFAOYSA-N
CC1=C(C=CC=C1Cl)S(=O)(=O)NCC2CCC=CC2
C14H18ClNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.8 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
299.0746777 g/mol
Property Name
Monoisotopic Mass
Property Value
299.0746777 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
416
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