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16204-16-3 | Benzenesulfonamide, 4-methyl-N-(5,6,7,8-tetrahydro-5-oxo-2-naphthalenyl)-
CAS No: 16204-16-3 Catalog No: AG001SOH MDL No:
Product Description
Catalog Number:
AG001SOH
Chemical Name:
Benzenesulfonamide, 4-methyl-N-(5,6,7,8-tetrahydro-5-oxo-2-naphthalenyl)-
CAS Number:
16204-16-3
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzenesulfonamide
InChI:
InChI=1S/C17H17NO3S/c1-12-5-8-15(9-6-12)22(20,21)18-14-7-10-16-13(11-14)3-2-4-17(16)19/h5-11,18H,2-4H2,1H3
InChI Key:
IWMLFWGTSKHTHR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CCCC2=O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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