N-Methyl-[2-(1-benzylindol-5-yl)ethane-1-sulfonamide - CAS 894351-85-0
Catalog: |
BB075845 |
Product Name: |
N-Methyl-[2-(1-benzylindol-5-yl)ethane-1-sulfonamide |
CAS: |
894351-85-0 |
Synonyms: |
N-Methyl-1-(phenylmethyl)-1H-indole-5-ethanesulfonamide |
IUPAC Name: | 2-(1-benzylindol-5-yl)-N-methylethanesulfonamide |
Description: | Intermediate for the preparation of Naratriptan and other indole sulfonamide derivatives. |
Molecular Weight: | 328.43 |
Molecular Formula: | C18H20N2O2S |
Canonical SMILES: | CNS(=O)(=O)CCC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C18H20N2O2S/c1-19-23(21,22)12-10-15-7-8-18-17(13-15)9-11-20(18)14-16-5-3-2-4-6-16/h2-9,11,13,19H,10,12,14H2,1H3 |
InChI Key: | JAYORSKJTWWUMN-UHFFFAOYSA-N |
Melting Point: | 93-96°C |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Grey Solid |
Storage: | -20°C Freezer |
Complexity: | 468 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 328.12454906 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 328.12454906 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 59.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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