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1192749-74-8

1192749-74-8 | Benzenesulfonamide, N-(5-bromo-3-pyridinyl)-N-(phenylsulfonyl)-

CAS No: 1192749-74-8 Catalog No: AG000IHR MDL No:

Product Description

Catalog Number:
AG000IHR
Chemical Name:
Benzenesulfonamide, N-(5-bromo-3-pyridinyl)-N-(phenylsulfonyl)-
CAS Number:
1192749-74-8
Molecular Formula:
C17H13BrN2O4S2
Molecular Weight:
453.3301
IUPAC Name:
N-(benzenesulfonyl)-N-(5-bromopyridin-3-yl)benzenesulfonamide
InChI:
InChI=1S/C17H13BrN2O4S2/c18-14-11-15(13-19-12-14)20(25(21,22)16-7-3-1-4-8-16)26(23,24)17-9-5-2-6-10-17/h1-13H
InChI Key:
HIFQSGLCAZLODB-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

Properties

Complexity:
612  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.95g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.325g/mol
Monoisotopic Mass:
451.95g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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