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Home > Imidazoles > 173374-94-2
173374-94-2 | Benzenesulfonamide, N-[1,3-dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene]-
CAS No: 173374-94-2 Catalog No: AG001YUM MDL No:
Product Description
Catalog Number:
AG001YUM
Chemical Name:
Benzenesulfonamide, N-[1,3-dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene]-
CAS Number:
173374-94-2
Molecular Formula:
C20H17N3O4S2
Molecular Weight:
427.4967
IUPAC Name:
N-[1-(benzenesulfonyl)-3-methylbenzimidazol-2-ylidene]benzenesulfonamide
InChI:
InChI=1S/C20H17N3O4S2/c1-22-18-14-8-9-15-19(18)23(29(26,27)17-12-6-3-7-13-17)20(22)21-28(24,25)16-10-4-2-5-11-16/h2-15H,1H3
InChI Key:
ZRXATGJHZBPJSG-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2n(c1=NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
817
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.066g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.493g/mol
Monoisotopic Mass:
427.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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