Basic information
- CAS
61982-08-9- Standard SMILES
Cc1nc(NS(=O)(=O)c2ccc(N(CCCl)CCCl)cc2)c(C(N)=O)n1C- InChIKey
VTTMVUHUEJSMDK-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N5O3S
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 433.0742161
Names & identifiers
- Preferred name
- 1H-Imidazole-5-carboxamide, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-1,2-dimethyl-
- IUPAC
- 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-2,3-dimethylimidazole-4-carboxamide
Names & synonyms
1H-Imidazole-5-carboxamide, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-1,2-dimethyl-61982-08-9BRN 0857227DTXSID202110154-{4-[Bis(2-chloroethyl)amino]benzene-1-sulfonamido}-1,2-dimethyl-1H-imidazole-5-carboxamide
Database identifiers
- CAS
61982-08-9- PubChem CID
- 3046331
- DTXSID
DTXSID20211015
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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