6-Amino-4-chloro-N1-ethyl-1,3-benzenedisulfonamide - CAS 1668-63-9
Catalog: |
BB074333 |
Product Name: |
6-Amino-4-chloro-N1-ethyl-1,3-benzenedisulfonamide |
CAS: |
1668-63-9 |
Synonyms: |
6-amino-4-chloro-N1-ethylbenzene-1,3-disulfonamide |
IUPAC Name: | 4-amino-6-chloro-3-N-ethylbenzene-1,3-disulfonamide |
Molecular Weight: | 313.78 |
Molecular Formula: | C8H12ClN3O4S2 |
Canonical SMILES: | CCNS(=O)(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)N |
InChI: | InChI=1S/C8H12ClN3O4S2/c1-2-12-18(15,16)8-4-7(17(11,13)14)5(9)3-6(8)10/h3-4,12H,2,10H2,1H3,(H2,11,13,14) |
InChI Key: | IPNRBBUYVXTGNP-UHFFFAOYSA-N |
References: | Close, W. J. et al. Fr. (1976). |
Complexity: | 482 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.9957759 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.9957759 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 149Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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