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86785-37-7 | Benzenesulfonamide, N-[4-amino-2-(trifluoromethyl)phenyl]-
CAS No: 86785-37-7 Catalog No: AG004JHV MDL No:
Product Description
Catalog Number:
AG004JHV
Chemical Name:
Benzenesulfonamide, N-[4-amino-2-(trifluoromethyl)phenyl]-
CAS Number:
86785-37-7
Molecular Formula:
C13H11F3N2O2S
Molecular Weight:
316.2988
IUPAC Name:
N-[4-amino-2-(trifluoromethyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-8-9(17)6-7-12(11)18-21(19,20)10-4-2-1-3-5-10/h1-8,18H,17H2
InChI Key:
NJCAQROCIRYMAO-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(F)(F)F)NS(=O)(=O)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.298g/mol
Monoisotopic Mass:
316.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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