| CAS Number | 727704-71-4 |
| Catalog Number | AG019IKN |
| Chemical Name | 5-(Morpholine-4-sulfonyl)-2-(propan-2-yloxy)aniline |
| IUPAC Name | 5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline |
| InChI | InChI=1S/C13H20N2O4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3 |
| InChI Key | WFUHYEDIZJQFQV-UHFFFAOYSA-N |
| MDL Number | MFCD04618151 |
| Molecular Formula | C13H20N2O4S |
| Molecular Weight | 300.3739 |
| SMILES | CC(OC1=C(N)C=C(S(N2CCOCC2)(=O)=O)C=C1)C |
| Synonyms | 5-(morpholine-4-sulfonyl)-2-(propan-2-yloxy)aniline,
727704-71-4,
2-isopropoxy-5-(morpholin-4-ylsulfonyl)aniline,
AC1Q1QOY,
AC1MZ8G5,
CTK6B0845,
ZINC3886796,
SBB042614,
AKOS000271026,
MCULE-7735145398,
NE12914,
EN300-06992,
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline,
SR-01000046389,
SR-01000046389-1,
Z56939174,
2-(methylethoxy)-5-(morpholin-4-ylsulfonyl)phenylamine,
ZINC03886796,
CID3868598,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.373g/mol |
| Monoisotopic Mass | 300.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number