| CAS Number | 735322-76-6 |
| Catalog Number | AG00ICET(AGN-PC-0WR4H9) |
| Chemical Name | 3-amino-N,N-diethyl-4-(3-methylphenoxy)benzene-1-sulfonamide |
| IUPAC Name | 3-amino-N,N-diethyl-4-(3-methylphenoxy)benzenesulfonamide |
| InChI | InChI=1S/C17H22N2O3S/c1-4-19(5-2)23(20,21)15-9-10-17(16(18)12-15)22-14-8-6-7-13(3)11-14/h6-12H,4-5,18H2,1-3H3 |
| InChI Key | MGJZUCBFWOMYPR-UHFFFAOYSA-N |
| MDL Number | MFCD04614728 |
| Molecular Formula | C17H22N2O3S |
| Molecular Weight | 334.4332 |
| SMILES | CCN(S(C1=CC(N)=C(OC2=CC(C)=CC=C2)C=C1)(=O)=O)CC |
| Synonyms | 735322-76-6,
3-amino-N,N-diethyl-4-(3-methylphenoxy)benzenesulfonamide,
3-amino-N,N-diethyl-4-(3-methylphenoxy)benzene-1-sulfonamide,
AC1MOF7E,
AC1Q2ZJ2,
CTK6E8632,
ZINC3886705,
MFCD04614728,
AKOS034466635,
MCULE-5522033105,
NE48084,
EN300-06816,
Z56933837,
ZINC03886705,
CID3368162,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.434g/mol |
| Monoisotopic Mass | 334.135g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number