1-(2-Chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
Basic information
- CAS
60515-82-4- Standard SMILES
O=C(NCCCl)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
IOTUAVRBKYXEJE-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O5S
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.0342694
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
- IUPAC
- 1-(2-chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
Names & synonyms
NSC29162860515-82-41-(2-chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]ureaDTXSID10315051NSC-2916284-Nitro-4'-chloroethylaminocarbonylaminediphenylsulfoneN-(2-Chloroethyl)-N'-[4-(4-nitrobenzene-1-sulfonyl)phenyl]urea
Database identifiers
- CAS
60515-82-4- PubChem CID
- 324841
- DTXSID
DTXSID10315051
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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