3,4-Diamino-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide - CAS 380349-00-8
Catalog: |
BB068257 |
Product Name: |
3,4-Diamino-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide |
CAS: |
380349-00-8 |
Synonyms: |
3,4-Diamino-N-(3-(trifluoromethyl)phenyl)benzenesulfonamide; 3,4-Diamino-N-(3-trifluoromethyl-phenyl)-benzenesulfonamide; 3,4-diamino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide; 3,4-Diamino-N-(3-(trifluoromethyl)-phenyl)benzenesulfonamide; 3,4-diamino-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide |
IUPAC Name: | 3,4-diamino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide |
Description: | 3,4-Diamino-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide |
Molecular Weight: | 331.31 |
Molecular Formula: | C13H12F3N3O2S |
Canonical SMILES: | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N)N)C(F)(F)F |
InChI: | InChI=1S/C13H12F3N3O2S/c14-13(15,16)8-2-1-3-9(6-8)19-22(20,21)10-4-5-11(17)12(18)7-10/h1-7,19H,17-18H2 |
InChI Key: | GYPWNSMTTFOWFB-UHFFFAOYSA-N |
Complexity: | 478 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.06023229 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.06023229 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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