| CAS Number | 89565-24-2 |
| Catalog Number | AG003Y6T(AGN-PC-00M0Q7) |
| Chemical Name | 4-(Pyridine-4-amido)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(pyridine-4-carbonylamino)benzenesulfonyl chloride |
| InChI | InChI=1S/C12H9ClN2O3S/c13-19(17,18)11-3-1-10(2-4-11)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16) |
| InChI Key | OQNAJKIHPDZGFT-UHFFFAOYSA-N |
| MDL Number | MFCD09815240 |
| Molecular Formula | C12H9ClN2O3S |
| Molecular Weight | 296.7295 |
| SMILES | ClS(C1=CC=C(NC(C2=CC=NC=C2)=O)C=C1)(=O)=O |
| Synonyms | 4-(pyridine-4-amido)benzene-1-sulfonyl chloride,
89565-24-2,
Benzenesulfonyl chloride, 4-[(4-pyridinylcarbonyl)amino]-,
ACMC-20lnqb,
AC1Q3VL7,
CTK2J3883,
DTXSID10536527,
AKOS000152302,
ZINC100567800,
NE43964,
EN300-67646,
4-[(Pyridine-4-carbonyl)amino]benzene-1-sulfonyl chloride,
4-(pyridine-4-carbonylamino)benzenesulfonyl chloride,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.725g/mol |
| Monoisotopic Mass | 296.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number