| CAS Number | 730951-14-1 |
| Catalog Number | AG019J54 |
| Chemical Name | 3-amino-N-(2-iodo-5-methylphenyl)benzene-1-sulfonamide |
| IUPAC Name | 3-amino-N-(2-iodo-5-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H13IN2O2S/c1-9-5-6-12(14)13(7-9)16-19(17,18)11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3 |
| InChI Key | CTPGAHDPLNPBSK-UHFFFAOYSA-N |
| MDL Number | MFCD04621666 |
| Molecular Formula | C13H13IN2O2S |
| Molecular Weight | 388.2240 |
| SMILES | CC1=CC(NS(C2=CC(N)=CC=C2)(=O)=O)=C(I)C=C1 |
| Synonyms | 3-amino-N-(2-iodo-5-methylphenyl)benzene-1-sulfonamide,
730951-14-1,
3-amino-N-(2-iodo-5-methylphenyl)benzenesulfonamide,
AC1NMOB4,
AC1Q2M4P,
CTK6B7165,
ZINC3887422,
AKOS034467314,
MCULE-7050048314,
NE12939,
EN300-08584,
SR-01000046989,
SR-01000046989-1,
Z56943735,
ZINC03887422,
CID5013291,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.223g/mol |
| Monoisotopic Mass | 387.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number