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Home > Sulfanilamide > 188564-47-8
188564-47-8 | N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethyl]-4-methylbenzene-1-sulfonamide
CAS No: 188564-47-8 Catalog No: AG01F551 MDL No:
Product Description
Catalog Number:
AG01F551
Chemical Name:
N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethyl]-4-methylbenzene-1-sulfonamide
CAS Number:
188564-47-8
Molecular Formula:
C15H16N4O2S
Molecular Weight:
316.3781
IUPAC Name:
N-[1-(benzotriazol-1-yl)ethyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C15H16N4O2S/c1-11-7-9-13(10-8-11)22(20,21)17-12(2)19-15-6-4-3-5-14(15)16-18-19/h3-10,12,17H,1-2H3
InChI Key:
WYDVXMSBIMCWCH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(n1nnc2c1cccc2)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.379g/mol
Monoisotopic Mass:
316.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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