Basic information
- CAS
1421-00-7- Standard SMILES
NS(=O)(=O)c1ccc(N(CCBr)CCCBr)cc1- InChIKey
HFKONGLDMIHZRA-UHFFFAOYSA-N- Molecular formula
- C11H16Br2N2O2S
- Average molar mass
- 400.13 g/mol
- Monoisotopic mass
- 397.92992
Names & identifiers
- Preferred name
- 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide
- IUPAC
- 4-[2-bromoethyl(3-bromopropyl)amino]benzenesulfonamide
- English name
- 4-[(2-Bromoethyl)(2-bromopropyl)amino]benzene-1-sulfonamide
- Molecular formula
- C11H16Br2N2O2S
- Molecular weight
- 400.13
Names & synonyms
T-18BRN 26985784-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamideDTXSID00161943N(sup 4)-(2-Bromoethyl)-N(sup 4)-(2-bromopropyl)sulfanilamideSulfanilamide, N(sup 4)-(2-bromoethyl)-N(sup 4)-(2-bromopropyl)-T 184-N-(2-bromoethyl)-4-N-(2-bromopropyl)sulfanilamide4-[(2-Bromoethyl)(3-bromopropyl)amino]benzene-1-sulfonamideBenzenesulfonamide, 4-[(2-bromoethyl)(2-bromopropyl)amino]-4-[(2-Bromoethyl)(2-bromopropyl)amino]benzene-1-sulfonamide
Database identifiers
- CAS
1421-00-7- PubChem CID
- 74015
- DTXSID
DTXSID00161943
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 499.4 · 499.4±55.0 °C(Predicted)
- Density
- 1.72 · 1.720±0.06 g/cm3(Predicted)
- pka
- 10.25 · 10.25±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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