1,3-Benzodioxole-5-sulfonyl Chloride - CAS 115010-10-1
Catalog: |
BB003457 |
Product Name: |
1,3-Benzodioxole-5-sulfonyl Chloride |
CAS: |
115010-10-1 |
Synonyms: |
1,3-benzodioxole-5-sulfonyl chloride; 1,3-benzodioxole-5-sulfonyl chloride |
IUPAC Name: | 1,3-benzodioxole-5-sulfonyl chloride |
Description: | 1,3-Benzodioxole-5-sulfonyl Chloride (CAS# 115010-10-1) is a reagent that is used in the preparation of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryloxazolidinone-5-carboxamides as novel P2 ligands. |
Molecular Weight: | 220.63 |
Molecular Formula: | C7H5ClO4S |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H5ClO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2 |
InChI Key: | ICUBASIDCXDQAW-UHFFFAOYSA-N |
Boiling Point: | 326.5 °C at 760 mmHg |
Density: | 1.607 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD04974524 |
LogP: | 2.42360 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
WO-2020148703-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20190116 |
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CN-110092743-A | Benzamide compound and preparation method thereof, purposes and pharmaceutical composition | 20180130 |
AU-2019214694-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.9597075 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.9597075 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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