CID 45334680
PubChem CID
45334680
Structure
Molecular Formula
Status
Non-live
Molecular Weight
349.8 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
2-chloro-5-[3-(2-methylpropoxy)propylsulfamoyl]benzoic acid
InChI=1S/C14H20ClNO5S/c1-10(2)9-21-7-3-6-16-22(19,20)11-4-5-13(15)12(8-11)14(17)18/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H,17,18)
PZNSFWKZBVZHKG-UHFFFAOYSA-N
CC(C)COCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O
C14H20ClNO5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
349.8 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
9
Property Name
Exact Mass
Property Value
349.0750716 g/mol
Property Name
Monoisotopic Mass
Property Value
349.0750716 g/mol
Property Name
Topological Polar Surface Area
Property Value
101 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
449
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
Old substance
CONTENTS