2-Pyridinesulfonyl Chloride Hydrochloride - CAS 111480-84-3
Catalog: |
BB002768 |
Product Name: |
2-Pyridinesulfonyl Chloride Hydrochloride |
CAS: |
111480-84-3 |
Synonyms: |
2-pyridinesulfonyl chloride;hydrochloride; pyridine-2-sulfonyl chloride;hydrochloride |
IUPAC Name: | pyridine-2-sulfonyl chloride;hydrochloride |
Description: | 2-Pyridinesulfonyl Chloride Hydrochloride (CAS# 111480-84-3) is a useful reactant for the preparation of benzamides as 11β-hydroxysteroid dehydrogenase type 1 modulators for the treatment of metabolic syndromes. |
Molecular Weight: | 214.07 |
Molecular Formula: | C5H5Cl2NO2S |
Canonical SMILES: | C1=CC=NC(=C1)S(=O)(=O)Cl.Cl |
InChI: | InChI=1S/C5H4ClNO2S.ClH/c6-10(8,9)5-3-1-2-4-7-5;/h1-4H;1H |
InChI Key: | XAJWHCVLZBSLNC-UHFFFAOYSA-N |
Boiling Point: | 314.4 °C at 760 mmHg |
LogP: | 2.89190 |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019154366-A1 | Nitrogen-containing heterocyclic compound, preparation method therefor and use thereof | 20180206 |
US-10562891-B2 | Quinazolinones as PARP14 inhibitors | 20171221 |
US-2019194174-A1 | Quinazolinones as parp14 inhibitors | 20171221 |
WO-2019126443-A1 | Quinazolinones as parp14 inhibitors | 20171221 |
AU-2018392616-A1 | Quinazolinones as PARP14 inhibitors | 20171221 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.9418050 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.9418050 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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