| CAS Number | 851169-39-6 |
| Catalog Number | AG019IRO |
| Chemical Name | 3-Amino-n,n-diethyl-4-(4-methylpiperazin-1-yl)benzene-1-sulfonamide |
| IUPAC Name | 3-amino-N,N-diethyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide |
| InChI | InChI=1S/C15H26N4O2S/c1-4-19(5-2)22(20,21)13-6-7-15(14(16)12-13)18-10-8-17(3)9-11-18/h6-7,12H,4-5,8-11,16H2,1-3H3 |
| InChI Key | FRIAPOXGQKDNEU-UHFFFAOYSA-N |
| MDL Number | MFCD06650678 |
| Molecular Formula | C15H26N4O2S |
| Molecular Weight | 326.4575 |
| SMILES | O=S(C1=CC=C(N2CCN(C)CC2)C(N)=C1)(N(CC)CC)=O |
| Synonyms | 3-amino-N,N-diethyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide,
3-amino-N,N-diethyl-4-(4-methylpiperazin-1-yl)benzene-1-sulfonamide,
851169-39-6,
AC1Q2ZGZ,
AC1MN9T4,
CTK6E8622,
ZINC3886991,
AKOS027427153,
MCULE-1743542078,
NE13294,
EN300-07552,
J-511703,
Z90124806,
CID3274747,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.459g/mol |
| Monoisotopic Mass | 326.178g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number