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72007-45-5

72007-45-5 | 2,2-dioxo-1,3-dihydro-2lambda6-benzothiophene-5-sulfonamide

CAS No: 72007-45-5 Catalog No: AG01C4HG MDL No:MFCD30180374

Product Description

Catalog Number:
AG01C4HG
Chemical Name:
2,2-dioxo-1,3-dihydro-2lambda6-benzothiophene-5-sulfonamide
CAS Number:
72007-45-5
Molecular Formula:
C8H9NO4S2
Molecular Weight:
247.2914
MDL Number:
MFCD30180374
IUPAC Name:
2,2-dioxo-1,3-dihydro-2-benzothiophene-5-sulfonamide
InChI:
InChI=1S/C8H9NO4S2/c9-15(12,13)8-2-1-6-4-14(10,11)5-7(6)3-8/h1-3H,4-5H2,(H2,9,12,13)
InChI Key:
OKBHEHXZRRRBMC-UHFFFAOYSA-N
SMILES:
O=S1(=O)Cc2c(C1)cc(cc2)S(=O)(=O)N

Properties

Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.283g/mol
Monoisotopic Mass:
246.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

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