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825627-54-1 | Benzenesulfonamide, 4-methyl-N-[1-[(4-methylphenyl)sulfonyl]butyl]-
CAS No: 825627-54-1 Catalog No: AG004YJV MDL No:
Product Description
Catalog Number:
AG004YJV
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[1-[(4-methylphenyl)sulfonyl]butyl]-
CAS Number:
825627-54-1
Molecular Formula:
C18H23NO4S2
Molecular Weight:
381.5095
IUPAC Name:
4-methyl-N-[1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
InChI:
InChI=1S/C18H23NO4S2/c1-4-5-18(24(20,21)16-10-6-14(2)7-11-16)19-25(22,23)17-12-8-15(3)9-13-17/h6-13,18-19H,4-5H2,1-3H3
InChI Key:
ZHGSQTQRZFYXBH-UHFFFAOYSA-N
SMILES:
CCCC(S(=O)(=O)c1ccc(cc1)C)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.505g/mol
Monoisotopic Mass:
381.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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