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18112-86-2 | Benzenesulfonamide, N-[S-phenyl-N-(phenylsulfonyl)sulfinimidoyl]- (9CI)
CAS No: 18112-86-2 Catalog No: AG0022PE MDL No:
Product Description
Catalog Number:
AG0022PE
Chemical Name:
Benzenesulfonamide, N-[S-phenyl-N-(phenylsulfonyl)sulfinimidoyl]- (9CI)
CAS Number:
18112-86-2
Molecular Formula:
C18H16N2O4S3
Molecular Weight:
420.5256
IUPAC Name:
N-[N-(benzenesulfonyl)-S-phenylsulfinimidoyl]benzenesulfonamide
InChI:
InChI=1S/C18H16N2O4S3/c21-26(22,17-12-6-2-7-13-17)19-25(16-10-4-1-5-11-16)20-27(23,24)18-14-8-3-9-15-18/h1-15H,(H,19,20)
InChI Key:
DZJSWQWFRCFNEP-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)NS(=NS(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.027g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.516g/mol
Monoisotopic Mass:
420.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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