3-Iodo-1-(phenylsulfonyl)indole - CAS 80360-14-1
Catalog: |
BB036490 |
Product Name: |
3-Iodo-1-(phenylsulfonyl)indole |
CAS: |
80360-14-1 |
Synonyms: |
1-(benzenesulfonyl)-3-iodoindole; 1-(benzenesulfonyl)-3-iodoindole |
IUPAC Name: | 1-(benzenesulfonyl)-3-iodoindole |
Description: | 3-Iodo-1-(phenylsulfonyl)indole (CAS# 80360-14-1) is a useful research chemical. |
Molecular Weight: | 383.20 |
Molecular Formula: | C14H10INO2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)I |
InChI: | InChI=1S/C14H10INO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H |
InChI Key: | GKYWOZYEMLEJFK-UHFFFAOYSA-N |
Boiling Point: | 516.555 °C at 760 mmHg |
Density: | 1.733 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09037474 |
LogP: | 4.56370 |
Publication Number | Title | Priority Date |
EP-3399968-A1 | Selective inhibitors of clinically important mutants of the egfr tyrosine kinase | 20160107 |
JP-2019501222-A | Selective inhibitors of clinically important variants of EGFR tyrosine kinase | 20160107 |
KR-20180105161-A | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | 20160107 |
US-10435388-B2 | Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase | 20160107 |
US-2019023689-A1 | Selective inhibitors of clinically important mutants of the egfr tyrosine kinase | 20160107 |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 382.9477 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 382.9477 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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