| CAS Number | 1221726-11-9 |
| Catalog Number | AG01A7K8 |
| Chemical Name | N-(cyclopropylmethyl)-4-[(cyclopropylmethyl)amino]-2-nitrobenzene-1-sulfonamide |
| IUPAC Name | N-(cyclopropylmethyl)-4-(cyclopropylmethylamino)-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C14H19N3O4S/c18-17(19)13-7-12(15-8-10-1-2-10)5-6-14(13)22(20,21)16-9-11-3-4-11/h5-7,10-11,15-16H,1-4,8-9H2 |
| InChI Key | LZDOFPCPLHYCHV-UHFFFAOYSA-N |
| MDL Number | MFCD14705712 |
| Molecular Formula | C14H19N3O4S |
| Molecular Weight | 325.3834 |
| SMILES | [O-][N+](C1=C(S(NCC2CC2)(=O)=O)C=CC(NCC2CC2)=C1)=O |
| Synonyms | N-(cyclopropylmethyl)-4-[(cyclopropylmethyl)amino]-2-nitrobenzene-1-sulfonamide,
1221726-11-9,
AC1Q1WUM,
CTK5I2826,
ZINC39947572,
AKOS034722386,
MCULE-6169496801,
NE15850,
EN300-58991,
Z951367656,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.383g/mol |
| Monoisotopic Mass | 325.11g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number