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87995-70-8 | Benzenesulfonamide, 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]-
CAS No: 87995-70-8 Catalog No: AG004L56 MDL No:
Product Description
Catalog Number:
AG004L56
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]-
CAS Number:
87995-70-8
Molecular Formula:
C22H21NO3S
Molecular Weight:
379.4720
IUPAC Name:
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C22H21NO3S/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)23-27(25,26)19-11-6-16(2)7-12-19/h4-14,23H,1-3H3
InChI Key:
BLHYGALFFUTFSI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.124g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.474g/mol
Monoisotopic Mass:
379.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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