Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate - CAS 179556-14-0
Catalog: |
BB044158 |
Product Name: |
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate |
CAS: |
179556-14-0 |
Synonyms: |
ethyl 5-hydroxythiophene-2-carboxylate |
IUPAC Name: | ethyl 5-(methanesulfonamido)-1H-indole-2-carboxylate |
Description: | Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate (CAS# 179556-14-0 ) is a useful research chemical. |
Molecular Weight: | 282.32 |
Molecular Formula: | C12H14N2O4S |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NS(=O)(=O)C |
InChI: | InChI=1S/C12H14N2O4S/c1-3-18-12(15)11-7-8-6-9(14-19(2,16)17)4-5-10(8)13-11/h4-7,13-14H,3H2,1-2H3 |
InChI Key: | JIKNCQOTMSZCCM-UHFFFAOYSA-N |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.06742811 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.06742811 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 96.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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