| CAS Number | 1396762-15-4 |
| Catalog Number | AG00A028(AGN-PC-0WNWRK) |
| Chemical Name | 1-Tosyl-1H-indol-7-amine |
| IUPAC Name | 1-(4-methylphenyl)sulfonylindol-7-amine |
| InChI | InChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-10-9-12-3-2-4-14(16)15(12)17/h2-10H,16H2,1H3 |
| InChI Key | KIKZNGUPFWPPBL-UHFFFAOYSA-N |
| MDL Number | MFCD13152167 |
| Molecular Formula | C15H14N2O2S |
| Molecular Weight | 286.3489 |
| SMILES | NC1=CC=CC2=C1N(S(=O)(C3=CC=C(C)C=C3)=O)C=C2 |
| Synonyms | 1-Tosyl-1H-indol-7-amine,
1396762-15-4,
MFCD22689863,
ZINC95631251,
AKOS027251785,
AS-41030,
1-(4-methylbenzenesulfonyl)-1H-indol-7-amine,
1-tosyl-1H-indol-7-amine, 95% - 1G 1g,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.349g/mol |
| Monoisotopic Mass | 286.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number