| CAS Number | 326023-23-8 |
| Catalog Number | AG019H1C |
| Chemical Name | 3-Amino-N-(4-methoxyphenyl)-4-(1-pyrrolidinyl)benzenesulfonamide |
| IUPAC Name | 3-amino-N-(4-methoxyphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide |
| InChI | InChI=1S/C17H21N3O3S/c1-23-14-6-4-13(5-7-14)19-24(21,22)15-8-9-17(16(18)12-15)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11,18H2,1H3 |
| InChI Key | QKDMCYVRFMPKIW-UHFFFAOYSA-N |
| MDL Number | MFCD02700622 |
| Molecular Formula | C17H21N3O3S |
| Molecular Weight | 347.4319 |
| SMILES | COc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)N)N1CCCC1 |
| Synonyms | 3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide,
326023-23-8,
3-Amino-N-(4-methoxy-phenyl)-4-pyrrolidin-1-yl-benzenesulfonamide,
AC1MUYWP,
AC1Q4DGA,
MLS001166649,
CHEMBL1421374,
CTK7A4954,
HMS2914M17,
ZINC3885388,
AKOS000115503,
MCULE-8437207377,
NE12159,
SMR000594806,
EN300-02167,
Z56779237,
3-amino-N-(4-methoxyphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide,
ZINC03885388,
CID3674642,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.433g/mol |
| Monoisotopic Mass | 347.13g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number