| CAS Number | 870692-97-0 |
| Catalog Number | AG00H3QM |
| Chemical Name | 2-Methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]aniline |
| IUPAC Name | 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline |
| InChI | InChI=1S/C12H19N3O3S/c1-14-5-7-15(8-6-14)19(16,17)10-3-4-12(18-2)11(13)9-10/h3-4,9H,5-8,13H2,1-2H3 |
| InChI Key | CAUYGLGWHNNDAD-UHFFFAOYSA-N |
| MDL Number | MFCD07346330 |
| Molecular Formula | C12H19N3O3S |
| Molecular Weight | 285.3626 |
| SMILES | COC1=C(N)C=C(S(N2CCN(C)CC2)(=O)=O)C=C1 |
| Synonyms | 2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]aniline,
870692-97-0,
2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]Benzenamine,
AC1OEVW1,
AC1Q45N0,
SCHEMBL16372111,
CTK7A6589,
CAUYGLGWHNNDAD-UHFFFAOYSA-N,
ZINC34886087,
AKOS009029170,
MCULE-8855490226,
NE13575,
FT-0759312,
EN300-14699,
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline,
2-Methoxy-5-[(4-methylpiperazin-1-yl)sulphonyl]aniline,
Z104442604,
2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]aniline, AldrichCPR,
CID7064018,
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-aniline,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.362g/mol |
| Monoisotopic Mass | 285.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number