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1245644-89-6 | Benzenesulfonamide, N-(5-bromo-3-pyridinyl)-4-methyl-N-[(4-methylphenyl)sulfonyl]-
CAS No: 1245644-89-6 Catalog No: AG000M9S MDL No:
Product Description
Catalog Number:
AG000M9S
Chemical Name:
Benzenesulfonamide, N-(5-bromo-3-pyridinyl)-4-methyl-N-[(4-methylphenyl)sulfonyl]-
CAS Number:
1245644-89-6
Molecular Formula:
C19H17BrN2O4S2
Molecular Weight:
481.3833
IUPAC Name:
N-(5-bromopyridin-3-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
InChI:
InChI=1S/C19H17BrN2O4S2/c1-14-3-7-18(8-4-14)27(23,24)22(17-11-16(20)12-21-13-17)28(25,26)19-9-5-15(2)6-10-19/h3-13H,1-2H3
InChI Key:
BGMBOTNRLWKEHC-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)N(S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.981g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.379g/mol
Monoisotopic Mass:
479.981g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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