| CAS Number | 104272-77-7 |
| Catalog Number | AG01DX80(AGN-PC-0NVQ40) |
| Chemical Name | 3-amino-4-phenoxybenzene-1-sulfonamide |
| IUPAC Name | 3-amino-4-phenoxybenzenesulfonamide |
| InChI | InChI=1S/C12H12N2O3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16) |
| InChI Key | DDJNTNSYBPJURZ-UHFFFAOYSA-N |
| MDL Number | MFCD28128842 |
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.3003 |
| SMILES | O=S(C1=CC=C(OC2=CC=CC=C2)C(N)=C1)(N)=O |
| Synonyms | Benzenesulfonamide, 3-amino-4-phenoxy-,
104272-77-7,
SCHEMBL15067774,
ZINC82317007,
FT-0764450,
3-amino-4-phenoxyBenzenesulfonamide,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.299g/mol |
| Monoisotopic Mass | 264.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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