1-(2-Chloroethyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
Basic information
- CAS
93127-26-5- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)no1- InChIKey
UTWDAVOXFZOSIR-UHFFFAOYSA-N- Molecular formula
- C13H15ClN4O4S
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.0502538
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
- IUPAC
- 1-(2-chloroethyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
Names & synonyms
NSC36665793127-26-51-(2-chloroethyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]ureaDTXSID60320933NSC-366657DS-0079541-(2-chloroethyl)-3-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]urea1-(2-Chloroethyl)-3-[4-[(5-methyloxazol-3-yl)sulfamoyl]phenyl]urea4-{[(2-Chloroethyl)carbamoyl]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamideBenzenesulfonamide, 4-[[[(2-chloroethyl)amino]carbonyl]amino]-N-(5-methyl-3-isoxazolyl)-
Database identifiers
- CAS
93127-26-5- PubChem CID
- 339560
- DTXSID
DTXSID60320933
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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