| CAS Number | 676583-30-5 |
| Catalog Number | AG00IBQU(AGN-PC-0WOIXD) |
| Chemical Name | N-cyclopropyl-4-methyl-3-nitrobenzenesulfonamide |
| IUPAC Name | N-cyclopropyl-4-methyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C10H12N2O4S/c1-7-2-5-9(6-10(7)12(13)14)17(15,16)11-8-3-4-8/h2,5-6,8,11H,3-4H2,1H3 |
| InChI Key | XXBCUSMPDZZQTQ-UHFFFAOYSA-N |
| MDL Number | MFCD04215070 |
| Molecular Formula | C10H12N2O4S |
| Molecular Weight | 256.2783 |
| SMILES | [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)NC1CC1 |
| Synonyms | N-cyclopropyl-4-methyl-3-nitrobenzenesulfonamide,
676583-30-5,
AC1MH91C,
MLS001000913,
CHEMBL1508784,
HMS2816C13,
ZINC5012582,
KM5737,
STL280702,
AKOS000388356,
MCULE-1170437547,
SMR000497808,
Y2966,
N-CYCLOPROPYL-4-METHYL-3-NITROBENZENE-1-SULFONAMIDE,
C10H12N2O4S,
ZINC05012582,
CID2948201,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.276g/mol |
| Monoisotopic Mass | 256.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number