Methyl 2-Sulfamoylisonicotinate - CAS 75903-51-4
Catalog: |
BB035436 |
Product Name: |
Methyl 2-Sulfamoylisonicotinate |
CAS: |
75903-51-4 |
Synonyms: |
2-sulfamoyl-4-pyridinecarboxylic acid methyl ester; methyl 2-sulfamoylpyridine-4-carboxylate |
IUPAC Name: | methyl 2-sulfamoylpyridine-4-carboxylate |
Description: | Methyl 2-Sulfamoylisonicotinate (CAS# 75903-51-4) is a useful research chemical. |
Molecular Weight: | 216.21 |
Molecular Formula: | C7H8N2O4S |
Canonical SMILES: | COC(=O)C1=CC(=NC=C1)S(=O)(=O)N |
InChI: | InChI=1S/C7H8N2O4S/c1-13-7(10)5-2-3-9-6(4-5)14(8,11)12/h2-4H,1H3,(H2,8,11,12) |
InChI Key: | YTHOVWCRGMPADR-UHFFFAOYSA-N |
LogP: | 1.29670 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017416068-A1 | Novel compounds and uses | 20170524 |
CA-3059458-A1 | Novel compounds and uses | 20170524 |
US-2020207780-A1 | Novel compounds and uses | 20170524 |
WO-2018215818-A1 | Novel compounds and uses | 20170524 |
JP-2020520984-A | Novel compounds and uses | 20170524 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.02047791 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.02047791 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 108 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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