1-Phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
Basic information
- CAS
10079-93-3- Standard SMILES
NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1- InChIKey
QOWRADOKRZQCAQ-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2S2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.07621914
Names & identifiers
- Preferred name
- 1-Phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
- IUPAC
- 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
Names & synonyms
10079-93-31-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thioureaCHEMBL2548334-{2-[(anilinocarbonothioyl)amino]ethyl}benzenesulfonamideBenzenesulfonamide, 4-[2-[[(phenylamino)thioxomethyl]amino]ethyl]-4-{2-[(Phenylcarbamothioyl)amino]ethyl}benzene-1-sulfonamideSR-01000226171SMR000193966CBMicro_042568Oprea1_097075MLS000571948SCHEMBL13764561
Show more names
DTXSID50353659HMS2564P04BDBM50211827STK079034ZINC00192591AKOS001636833PD129788BIM-0042659.P001
Database identifiers
- CAS
10079-93-3- PubChem CID
- 747569
- DTXSID
DTXSID50353659- ChEMBL
CHEMBL254833- Nikkaji
- J1.436.654G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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