8-(phenylamino)naphthalene-1-sulfonic acid | SBID = 248 | Compound |
Structure
Molecular Properties
| Interactions: | 12 | ||
| PubChem TPSA/Å2: | 74.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 222.7 | ||
| Sum Formula: | C16H13NO3S | ||
| M / g/mol: | 299.344 | ||
| Complexity: | 439.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 8-(phenylamino)naphthalene-1-sulfonic acid
- Preferred Abbreviation: 1,8-ANS
- IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid
- CAS: 82-76-8
- CID: 1369
- InChiKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N
- InChi: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
- CanoSmiles: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
- IsoSmiles: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
