Methyl 2-(Methylsulfonamido)phenylacetate - CAS 117239-82-4
Catalog: |
BB003909 |
Product Name: |
Methyl 2-(Methylsulfonamido)phenylacetate |
CAS: |
117239-82-4 |
Synonyms: |
2-[2-(methanesulfonamido)phenyl]acetic acid methyl ester; methyl 2-[2-(methanesulfonamido)phenyl]acetate |
IUPAC Name: | methyl 2-[2-(methanesulfonamido)phenyl]acetate |
Description: | Methyl 2-(Methylsulfonamido)phenylacetate (CAS# 117239-82-4) is a useful research chemical. |
Molecular Weight: | 243.28 |
Molecular Formula: | C10H13NO4S |
Canonical SMILES: | COC(=O)CC1=CC=CC=C1NS(=O)(=O)C |
InChI: | InChI=1S/C10H13NO4S/c1-15-10(12)7-8-5-3-4-6-9(8)11-16(2,13)14/h3-6,11H,7H2,1-2H3 |
InChI Key: | GGXQFGLHGRJPJI-UHFFFAOYSA-N |
LogP: | 2.58180 |
Publication Number | Title | Priority Date |
DD-270909-A5 | PROCESS FOR THE PREPARATION OF 2,1-BENZOTHIAZEPINE-2,2-DIOXIDE-5-CARBONE-SAE DERIVATIVES | 19870112 |
EP-0276194-A1 | 2,1-Benzothiazepine-2,2-dioxide-5-carboxylic acid derivatives | 19870112 |
PT-86519-B | 2-BENZOTIAZEPINO-2,2-DIOXIDE-5-CARBOXYLIC ACID DERIVATIVES | 19870112 |
US-4803197-A | 2,1-benzothiazepine-2,2-dioxide-5-carboxylic acid derivatives | 19870112 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.05652907 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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