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132130-13-3 | Benzenesulfonamide, N-(hexahydro-2-oxo-1H-azepin-3-yl)-4-methyl-
CAS No: 132130-13-3 Catalog No: AG00109L MDL No:
Product Description
Catalog Number:
AG00109L
Chemical Name:
Benzenesulfonamide, N-(hexahydro-2-oxo-1H-azepin-3-yl)-4-methyl-
CAS Number:
132130-13-3
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
IUPAC Name:
4-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
InChI:
InChI=1S/C13H18N2O3S/c1-10-5-7-11(8-6-10)19(17,18)15-12-4-2-3-9-14-13(12)16/h5-8,12,15H,2-4,9H2,1H3,(H,14,16)
InChI Key:
BAHGCTIAAMBBJI-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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