| CAS Number | 258262-54-3 |
| Catalog Number | AG00C2KC(AGN-PC-0R1OQP) |
| Chemical Name | tert-butyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate |
| InChI | InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(16)15-9-8-10-4-6-11(7-5-10)20(14,17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H2,14,17,18) |
| InChI Key | AKUPRXWQEIRZBC-UHFFFAOYSA-N |
| MDL Number | MFCD21105771 |
| Molecular Formula | C13H20N2O4S |
| Molecular Weight | 300.3739 |
| SMILES | CC(OC(NCCC1=CC=C(S(N)(=O)=O)C=C1)=O)(C)C |
| Synonyms | 258262-54-3,
N-[2-[4-(Aminosulfonyl)phenyl]ethyl]carbamic Acid tert-Butyl Ester,
N-[2-[4-(AMINOSULFONYL)PHENYL]ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER,
tert-butyl 4-sulfamoylphenethylcarbamate,
AGN-PC-0NHTEF,
SCHEMBL1185780,
DTXSID30477741,
AKUPRXWQEIRZBC-UHFFFAOYSA-N,
ZINC38857986,
AKOS008227337,
FT-0662062,
J-016139,
(4-Sulfamoylphenethyl)carbamic Acid tert-Butyl Ester,
N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-carbamic Acid 1,1-Dimethylethyl Ester,
|
| Complexity | 415 |
| 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 | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.373g/mol |
| Monoisotopic Mass | 300.114g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number