CID 45320974
PubChem CID
45320974
Structure
Molecular Formula
Status
Non-live
Molecular Weight
437.5 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
5-[[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-2-methylbenzoic acid
InChI=1S/C18H19N3O6S2/c1-12-4-7-15(11-16(12)18(22)23)29(26,27)20-13-5-8-14(9-6-13)28(24,25)21-17-3-2-10-19-17/h4-9,11,20H,2-3,10H2,1H3,(H,19,21)(H,22,23)
FCRYKIFQKVYPBQ-UHFFFAOYSA-N
CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCC3)C(=O)O
C18H19N3O6S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
437.5 g/mol
Property Name
XLogP3-AA
Property Value
1.1
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
437.07152768 g/mol
Property Name
Monoisotopic Mass
Property Value
437.07152768 g/mol
Property Name
Topological Polar Surface Area
Property Value
159 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
836
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