1-Propyl-3-(p-tolylsulphonyl)urea
Basic information
- CAS
24570-88-5- Standard SMILES
CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1- InChIKey
QSLBKVNCTRJJNT-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.08816355
Names & identifiers
- Preferred name
- 1-Propyl-3-(p-tolylsulphonyl)urea
- IUPAC
- 1-(4-methylphenyl)sulfonyl-3-propylurea
- English name
- 1-propyl-3-(p-tolylsulphonyl)urea
- Molecular formula
- C11H16N2O3S
- Molecular weight
- 256.32
Names & synonyms
24570-88-51-Propyl-3-(p-tolylsulphonyl)urea1-Propyl-3-(p-tolylsulfonyl)ureaEINECS 246-322-74-methyl-N-(propylcarbamoyl)benzenesulfonamidebenzenesulfonamide, 4-methyl-n-[(propylamino)carbonyl]-3L4LV4TY9C4-Methyl-N-[(propylamino)carbonyl]benzenesulfonamideSCHEMBL14273616DTXSID70179313QSLBKVNCTRJJNT-UHFFFAOYSA-NN-Propyl-N'-(p-tolylsulfonyl)urea
Show more names
1-Tosyl-3-propylurea1-(p-Tolylsulfonyl)-3-propylureaN-(4-Methylphenylsulfonyl)-N'-propylurea
STK072710AKOS005390352NS000276954-Methyl-N-(propylcarbamoyl)benzene-1-sulfonamide
Database identifiers
- CAS
24570-88-5- PubChem CID
- 90543
- DTXSID
DTXSID70179313- UNII
- 3L4LV4TY9C
- EC Number
- 246-322-7
- Nikkaji
- J286.345F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- pka
- 5.26 · 5.26±0.10(Predicted)
- FDA UNII
- 3 L4LV4TY9C · 3L4LV4TY9C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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