CID 45335425
PubChem CID
45335425
Structure
Molecular Formula
Status
Non-live
Molecular Weight
327.4 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
3-[bis(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
InChI=1S/C16H25NO4S/c1-11(2)9-17(10-12(3)4)22(20,21)15-8-14(16(18)19)7-6-13(15)5/h6-8,11-12H,9-10H2,1-5H3,(H,18,19)
FLBRQZTWCBHXOP-UHFFFAOYSA-N
CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(CC(C)C)CC(C)C
C16H25NO4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
327.4 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
5
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
327.15042945 g/mol
Property Name
Monoisotopic Mass
Property Value
327.15042945 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.1 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
457
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