| CAS Number | 847171-68-0 |
| Catalog Number | AG00IDF2(AGN-PC-03Z4XJ) |
| Chemical Name | 3-Amino-n-(2-methylphenyl)benzenesulfonamide |
| IUPAC Name | 3-amino-N-(2-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H14N2O2S/c1-10-5-2-3-8-13(10)15-18(16,17)12-7-4-6-11(14)9-12/h2-9,15H,14H2,1H3 |
| InChI Key | LQRNHCFDZCRUDR-UHFFFAOYSA-N |
| MDL Number | MFCD09805726 |
| Molecular Formula | C13H14N2O2S |
| Molecular Weight | 262.3275 |
| SMILES | NC=1C=C(C=CC1)S(=O)(=O)NC1=C(C=CC=C1)C |
| Synonyms | 3-amino-n-(2-methylphenyl)benzenesulfonamide,
847171-68-0,
SCHEMBL5472507,
CTK7D9260,
ZINC19388607,
AKOS000158881,
Benzenesulfonamide, 3-amino-N-(2-methylphenyl)-,
3-AMINO-N-(2-METHYLPHENYL)BENZENE-1-SULFONAMIDE,
3-amino-N-(o-tolyl)benzenesulfonamide,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.327g/mol |
| Monoisotopic Mass | 262.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number