| CAS Number | 1261576-81-1 |
| Catalog Number | AG00A18K |
| Chemical Name | 4-chloro-N-(1-naphthalenylmethyl)-5-[3-(1-piperazinyl)phenoxy]-2-thiophenesulfonamide |
| IUPAC Name | 4-chloro-N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide |
| InChI | InChI=1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-7-3-6-18-5-1-2-10-22(18)19)33-25(23)32-21-9-4-8-20(15-21)29-13-11-27-12-14-29/h1-10,15-16,27-28H,11-14,17H2 |
| InChI Key | YAAVQYDOVJQDFZ-UHFFFAOYSA-N |
| MDL Number | MFCD28100813 |
| Molecular Formula | C25H24ClN3O3S2 |
| Molecular Weight | 514.0594 |
| SMILES | O=S(NCC1=C2C(C=CC=C2)=CC=C1)(C3=CC(Cl)=C(OC4=CC=CC(N5CCNCC5)=C4)S3)=O |
| Synonyms | B355252,
1261576-81-1,
B355252,
4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sulfonamide,
C25H24ClN3O3S2,
SCHEMBL2354296,
AOB4895,
SYN5030,
BDBM316368,
ZINC118706019,
NCGC00402237-03,
AS-16396,
US9617239, BRITE-355252,
B-355252,
4-Chloro-N-(1-naphthalenylmethyl)-5-[3-(1-piperazinyl)phenoxy]-2-thiophenesulfonamide,
YAAVQYDOVJQDFZ-UHFFFAOYSA-N,
B 355252,
|
| Complexity | 761 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 513.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 514.055g/mol |
| Monoisotopic Mass | 513.095g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number