| CAS Number | 50702-39-1 |
| Catalog Number | AG00DYXS(AGN-PC-004MTE) |
| Chemical Name | 3-Iodobenzene-1-sulfonamide |
| IUPAC Name | 3-iodobenzenesulfonamide |
| InChI | InChI=1S/C6H6INO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) |
| InChI Key | VDQBCIQHOXPLFI-UHFFFAOYSA-N |
| MDL Number | MFCD06409088 |
| Molecular Formula | C6H6INO2S |
| Molecular Weight | 283.0868 |
| SMILES | NS(C1=CC(I)=CC=C1)(=O)=O |
| Synonyms | 3-iodobenzenesulfonamide,
3-iodobenzene-1-sulfonamide,
50702-39-1,
3-iodobenzene sulphonamide,
AC1Q559M,
SCHEMBL3919478,
3-IODOBENZENESULPHONAMIDE,
CTK7C3481,
DTXSID20459197,
VDQBCIQHOXPLFI-UHFFFAOYSA-N,
ZINC36948430,
AKOS009345953,
MCULE-3276432921,
NE49346,
EN300-66489,
Z1247383811,
CID11219806,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.083g/mol |
| Monoisotopic Mass | 282.916g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number