| CAS Number | 244101-03-9 |
| Catalog Number | AG01EPXG(AGN-PC-0WOHLK) |
| Chemical Name | (2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthalenylmethyl)phenyl]-2-propenamide |
| IUPAC Name | (E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide |
| InChI | InChI=1S/C27H21BrClNO4S/c1-34-25-12-10-23(28)17-26(25)35(32,33)30-27(31)13-9-22-16-24(29)11-8-21(22)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-14,16-17H,15H2,1H3,(H,30,31)/b13-9+ |
| InChI Key | DYXFUJYHEDGCLS-UKTHLTGXSA-N |
| MDL Number | MFCD10007814 |
| Molecular Formula | C27H21BrClNO4S |
| Molecular Weight | 570.8819 |
| SMILES | ClC(C=C1/C=C/C(NS(C2=C(OC)C=CC(Br)=C2)(=O)=O)=O)=CC=C1CC3=CC4=CC=CC=C4C=C3 |
| Synonyms | L-826266,
L-826266,
LS-193774,
244101-03-9,
compound 10b [PMID: 11504634],
MF266-3,
GTPL5844,
SCHEMBL1061876,
SCHEMBL1061880,
L-826,266,
(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthalenylmethyl)phenyl]-2-propenamide,
(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide,
D0X6DO,
CID9808643,
CID 9808643,
C508710,
|
| Complexity | 847 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 569.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 570.882g/mol |
| Monoisotopic Mass | 569.006g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number