| CAS Number | 1956355-11-5 |
| Catalog Number | AG01EFN7 |
| Chemical Name | 3-Chloro-4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide |
| IUPAC Name | 3-chloro-4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide |
| InChI | InChI=1S/C15H12ClFN2O2S/c1-9-6-10-7-11(2-5-15(10)18-9)19-22(20,21)12-3-4-14(17)13(16)8-12/h2-8,18-19H,1H3 |
| InChI Key | BAMZQEIJYUXQNI-UHFFFAOYSA-N |
| MDL Number | MFCD29917125 |
| Molecular Formula | C15H12ClFN2O2S |
| Molecular Weight | 338.7844 |
| SMILES | Cc1cc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2[nH]1 |
| Synonyms | 3-Chloro-4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide,
1956355-11-5,
MFCD29917125,
ZINC31721941,
TZ001241,
CS-0039631,
Benzenesulfonamide, 3-chloro-4-fluoro-N-(2-methyl-1H-indol-5-yl)-,
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| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.781g/mol |
| Monoisotopic Mass | 338.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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