Basic information
- CAS
93126-97-7- Standard SMILES
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1C- InChIKey
XRZZDZHTUSLVPN-UHFFFAOYSA-N- Molecular formula
- C14H17ClN4O4S
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.0659039
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]urea
- IUPAC
- 1-(2-chloroethyl)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]urea
Names & synonyms
NSC36666093126-97-71-(2-chloroethyl)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]ureaDTXSID40320936NSC-366660DS-0013101-(2-chloroethyl)-3-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]urea4-({[(2-Chloroethyl)amino]carbonyl}amino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide4-{[(2-Chloroethyl)carbamoyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamideBenzenesulfonamide,4-[[[(2-chloroethyl)amino]carbonyl]amino]-n-(3,4-dimethyl-5-isoxazolyl)-
Database identifiers
- CAS
93126-97-7- PubChem CID
- 339563
- DTXSID
DTXSID40320936
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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