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654643-42-2 | Benzenesulfonamide, 4-methyl-N-[1-methyl-3-oxo-4-(3-thienyl)butyl]-
CAS No: 654643-42-2 Catalog No: AG006QTU MDL No:
Product Description
Catalog Number:
AG006QTU
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[1-methyl-3-oxo-4-(3-thienyl)butyl]-
CAS Number:
654643-42-2
Molecular Formula:
C16H19NO3S2
Molecular Weight:
337.4570
IUPAC Name:
4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
InChI:
InChI=1S/C16H19NO3S2/c1-12-3-5-16(6-4-12)22(19,20)17-13(2)9-15(18)10-14-7-8-21-11-14/h3-8,11,13,17H,9-10H2,1-2H3
InChI Key:
ZOUADMVSOKNZJG-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1ccc(cc1)C)CC(=O)Cc1cscc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.452g/mol
Monoisotopic Mass:
337.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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