2-Amino-N,N-dimethylbenzenesulfonamide - CAS 54468-86-9
Catalog: |
BB028686 |
Product Name: |
2-Amino-N,N-dimethylbenzenesulfonamide |
CAS: |
54468-86-9 |
Synonyms: |
2-amino-N,N-dimethylbenzenesulfonamide; 2-amino-N,N-dimethylbenzenesulfonamide |
IUPAC Name: | 2-amino-N,N-dimethylbenzenesulfonamide |
Description: | 2-Amino-N,N-dimethylbenzenesulfonamide (CAS# 54468-86-9) is an intermediate used to prepare LDK378 as potent and selective anaplastic lymphoma kinase inhibitor. |
Molecular Weight: | 200.26 |
Molecular Formula: | C8H12N2O2S |
Canonical SMILES: | CN(C)S(=O)(=O)C1=CC=CC=C1N |
InChI: | InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3 |
InChI Key: | GUWXWPWKFMLCPW-UHFFFAOYSA-N |
MDL: | MFCD04035363 |
LogP: | 2.18110 |
Publication Number | Title | Priority Date |
WO-2021067772-A1 | Axl inhibitor formulations | 20191004 |
WO-2019195753-A1 | Axl kinase inhibitors and use of the same | 20180405 |
AU-2019247498-A1 | AXL kinase inhibitors and use of the same | 20180405 |
BR-112020020246-A2 | AXL KINASE INHIBITORS AND USE OF THE SAME | 20180405 |
EP-3773591-A1 | Axl kinase inhibitors and use of the same | 20180405 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0619488 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0619488 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Amines and Anilines
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