Basic information
- CAS
5450-07-7- Standard SMILES
Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1- InChIKey
ZPFSBNWSSDXIRR-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2S
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.10889899
Names & identifiers
- Preferred name
- Mls002638339
- IUPAC
- N-(4-methylphenyl)piperidine-1-sulfonamide
- English name
- N-(4-methylphenyl)piperidine-1-sulfonamide
- Molecular formula
- C12H18N2O2S
- Molecular weight
- 254.35
Names & synonyms
5450-07-7MLS002638339DTXSID40279718RefChem:357154DTXCID70230872N-(4-methylphenyl)piperidine-1-sulfonamideN-(p-tolyl)piperidine-1-sulfonamideCHEMBL235914NSC13807N-(4-methylphenyl)-1-piperidinesulfonamideN-p-tolylpiperidine-1-sulfonamideHMS1601D19
Show more names
1-Piperidinesulfonamide, N-(4-methylphenyl)-
HMS3086N09BDBM50228111NSC-13807STK132286AKOS002244381(4-methylphenyl)(piperidylsulfonyl)amineSMR001547825MLS-0067027.P001
Database identifiers
- CAS
5450-07-7- PubChem CID
- 224941
- DTXSID
DTXSID40279718- ChEMBL
CHEMBL235914
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 387.6 · 387.6±35.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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