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83055-86-1 | Benzenemethanesulfonamide, 2-(methylsulfonyl)-
CAS No: 83055-86-1 Catalog No: AG0052KR MDL No:
Product Description
Catalog Number:
AG0052KR
Chemical Name:
Benzenemethanesulfonamide, 2-(methylsulfonyl)-
CAS Number:
83055-86-1
Molecular Formula:
C8H11NO4S2
Molecular Weight:
249.3072
IUPAC Name:
(2-methylsulfonylphenyl)methanesulfonamide
InChI:
InChI=1S/C8H11NO4S2/c1-14(10,11)8-5-3-2-4-7(8)6-15(9,12)13/h2-5H,6H2,1H3,(H2,9,12,13)
InChI Key:
ICRCGYUJMWBKJQ-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)Cc1ccccc1S(=O)(=O)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.299g/mol
Monoisotopic Mass:
249.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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