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124984-83-4 | N-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-methylpropyl]-4-methylbenzene-1-sulfonamide
CAS No: 124984-83-4 Catalog No: AG01F3XG MDL No:
Product Description
Catalog Number:
AG01F3XG
Chemical Name:
N-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-methylpropyl]-4-methylbenzene-1-sulfonamide
CAS Number:
124984-83-4
Molecular Formula:
C17H20N4O2S
Molecular Weight:
344.4313
IUPAC Name:
N-[1-(benzotriazol-1-yl)-2-methylpropyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H20N4O2S/c1-12(2)17(21-16-7-5-4-6-15(16)18-20-21)19-24(22,23)14-10-8-13(3)9-11-14/h4-12,17,19H,1-3H3
InChI Key:
SNCULINHQRYZHV-UHFFFAOYSA-N
SMILES:
CC(C(n1nnc2c1cccc2)NS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.433g/mol
Monoisotopic Mass:
344.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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