SODIUM P-TOLUENESULFONCHLOROAMIDE
General Information
| Mainterm | SODIUM P-TOLUENESULFONCHLOROAMIDE |
| CAS Reg.No.(or other ID) | 127-65-1 |
| Regnum |
178.1010 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 3641960 |
| IUPAC Name | sodium;chloro-(4-methylphenyl)sulfonylazanide |
| InChI | InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1 |
| InChI Key | VDQQXEISLMTGAB-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+] |
| Molecular Formula | C7H7ClNNaO2S |
| Wikipedia | chloramine-t anhydrous |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 227.638 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Complexity | 231.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y B i M C B E A A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A B A A A A G A Q A Y A A A D A C A W A A y A Y A A A A K A A i B C A H B C A B A g A A A I i B g A A I g I I C K A E R C A I A A g g A A I i A c A g A A O E A A A A A A A A A A g A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 43.5 |
| Monoisotopic Mass | 226.978 |
| Exact Mass | 226.978 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic metal halide - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
From ClassyFire