| CAS Number | 327093-05-0 |
| Catalog Number | AG00I68L(AGN-PC-0WR4HP) |
| Chemical Name | 3-Amino-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide |
| IUPAC Name | 3-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-5-11(7-9)18-21(19,20)12-6-2-4-10(17)8-12/h1-8,18H,17H2 |
| InChI Key | LNRXTKNBQCSDLR-UHFFFAOYSA-N |
| MDL Number | MFCD02708237 |
| Molecular Formula | C13H11F3N2O2S |
| Molecular Weight | 316.2988 |
| SMILES | NC1=CC(S(NC2=CC(C(F)(F)F)=CC=C2)(=O)=O)=CC=C1 |
| Synonyms | 3-Amino-N-(3-trifluoromethyl-phenyl)-benzenesulfonamide,
327093-05-0,
3-amino-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide,
3-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide,
AC1MXP1P,
AC1Q527H,
CTK7D9253,
ZINC3885348,
MFCD02708237,
SBB042461,
STL191167,
AKOS000115640,
MCULE-5808776525,
NE12233,
EN300-02126,
SR-01000029293,
SR-01000029293-1,
Z56792421,
[(3-aminophenyl)sulfonyl][3-(trifluoromethyl)phenyl]amine,
ZINC03885348,
CID3819089,
|
| Complexity | 447 |
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number