| Canonical Smiles | CCOC1=C(C=C(C=C1)NC(=O)N(C)C)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 5-(dimethylcarbamoylamino)-2-ethoxybenzenesulfonyl chloride |
| InChIKey | XGEJPGJBEGCJLZ-UHFFFAOYSA-N |
| INCHI | 1S/C11H15ClN2O4S/c1-4-18-9-6-5-8(13-11(15)14(2)3)7-10(9)19(12,16)17/h5-7H,4H2,1-3H3,(H,13,15) |
| Molecular Weight | 306.77 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Benzenesulfonyl chlorides Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylurea - Benzenesulfonyl chloride - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Carbonic acid derivative - Urea - Ether - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
| Molecular Weight | 306.770 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 306.044 Da |
| Monoisotopic Mass | 306.044 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
