Benzenesulfonamide, 4-(bis(2-bromoethyl)amino)-
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Basic information
- CAS
955-79-3- Standard SMILES
NS(=O)(=O)c1ccc(N(CCBr)CCBr)cc1- InChIKey
WWKINABOMDPLIE-UHFFFAOYSA-N- Molecular formula
- C10H14Br2N2O2S
- Average molar mass
- 386.11 g/mol
- Monoisotopic mass
- 383.91427
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-(bis(2-bromoethyl)amino)-
- IUPAC
- 4-[bis(2-bromoethyl)amino]benzenesulfonamide
- English name
- 4-[Bis(2-bromoethyl)amino]benzene-1-sulfonamide
- Molecular formula
- C10H14Br2N2O2S
- Molecular weight
- 386.1
Names & synonyms
I.C. 564-(Bis(2-bromoethyl)amino)benzenesulfonamide955-79-3N4,N4-Bis(2-bromoethyl)sulfanilamideN(sup4),N(sup4)-Bis(2-bromoethyl)sulfanilamide4-[bis(2-bromoethyl)amino]benzenesulfonamideNSC 77647BRN 2698014N(sup 4),N(sup 4)-Bis(2-bromoethyl)sulfanilamideSulfanilamide, N(sup4),N(sup4)-bis(2-bromoethyl)-DTXSID70241862Benzenesulfonamide, 4-(bis(2-bromoethyl)amino)-
Show more names
I.C.564-[Bis(2-bromoethyl)amino]benzene-1-sulfonamide4--benzol-sulfonamid-(1)
Benzenesulfonamide, 4-[bis(2-bromoethyl)amino]-Sulfanilamide, N4,N4-bis(2-bromoethyl)-Sulfanilamide, N(sup 4),N(sup 4)-bis(2-bromoethyl)-RefChem:325294Sulfanilamide, N4,N4-bis(2-bromoethyl)-(8CI)Benzenesulfonamide, 4-(bis(2-bromoethyl)amino)-(9CI)DTXCID00164353NSC-77647
Database identifiers
- CAS
955-79-3- PubChem CID
- 70386
- DTXSID
DTXSID70241862- ChEMBL
CHEMBL3246926- UNII
- KHW32BN9BK
- Nikkaji
- J54.355A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 215mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 215mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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