A1CUC
3-chlorobenzene-1-sulfonamide
| Created: | 2025-09-18 |
| Last modified: | 2026-02-18 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 0 |
| Bond Count | 17 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3-chlorobenzene-1-sulfonamide |
| Systematic Name (OpenEye OEToolkits) | 3-chloranylbenzenesulfonamide |
| Formula | C6 H6 Cl N O2 S |
| Molecular Weight | 191.635 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(N)(=O)c1cc(Cl)ccc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(Cl)c1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Cl)S(=O)(=O)N |
| Canonical SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(Cl)c1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Cl)S(=O)(=O)N |
| InChI | InChI | 1.06 | InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) |
| InChIKey | InChI | 1.06 | WSYQJNPRQUFCGL-UHFFFAOYSA-N |
