| CAS Number | 380442-20-6 |
| Catalog Number | AG019H8F |
| Chemical Name | 3-amino-N-(3-bromo-4-ethoxyphenyl)-4-methoxybenzene-1-sulfonamide |
| IUPAC Name | 3-amino-N-(3-bromo-4-ethoxyphenyl)-4-methoxybenzenesulfonamide |
| InChI | InChI=1S/C15H17BrN2O4S/c1-3-22-14-6-4-10(8-12(14)16)18-23(19,20)11-5-7-15(21-2)13(17)9-11/h4-9,18H,3,17H2,1-2H3 |
| InChI Key | SMHXXZNWOSBTPP-UHFFFAOYSA-N |
| MDL Number | MFCD03476784 |
| Molecular Formula | C15H17BrN2O4S |
| Molecular Weight | 401.2755 |
| SMILES | CCOc1ccc(cc1Br)NS(=O)(=O)c1ccc(c(c1)N)OC |
| Synonyms | 3-amino-N-(3-bromo-4-ethoxyphenyl)-4-methoxybenzene-1-sulfonamide,
380442-20-6,
3-Amino-N-(3-bromo-4-ethoxy-phenyl)-4-methoxy-benzenesulfonamide,
AC1MXQUF,
AC1Q37T7,
CTK6G2366,
ZINC3885675,
AKOS000115967,
MCULE-7462091541,
NE12478,
EN300-02867,
Z56828921,
3-amino-N-(3-bromo-4-ethoxyphenyl)-4-methoxybenzenesulfonamide,
ZINC03885675,
CID3769950,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.275g/mol |
| Monoisotopic Mass | 400.009g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number