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4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide

HCID 974934
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Basic information

CAS
486422-12-2
Standard SMILES
CN(C)CCNS(=O)(=O)c1ccc(Br)cc1
InChIKey
HHIMZSIQHCGSSQ-UHFFFAOYSA-N
Molecular formula
C10H15BrN2O2S
Average molar mass
307.21 g/mol
Monoisotopic mass
306.00376

Names & identifiers

Preferred name
4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
IUPAC
4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide

Names & synonyms

4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide486422-12-2SCHEMBL13484254-bromo-N-[2-(dimethylamino)ethyl]benzene-1-sulfonamideHHIMZSIQHCGSSQ-UHFFFAOYSA-NDTXSID001217476STK215268AKOS003333211DB-090609SR-01000274556SR-01000274556-14-Bromo-N-(2-dimethylamino-ethyl)-benzenesulfonamide

Database identifiers

CAS
486422-12-2
PubChem CID
974934
DTXSID
DTXSID001217476

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
57.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
292

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Related reactions

11 records
New reaction record
HRID 269196 reaction equation
HRID 269196As reactantuspto-grants-2008_11
HRID 269211 reaction equation
HRID 269211As reactantuspto-grants-2008_11
HRID 558759 reaction equation
HRID 558759As reactantuspto-grants-2011_11
HRID 558774 reaction equation
HRID 558774As reactantuspto-grants-2011_11
HRID 669824 reaction equation
HRID 669824As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 945370 reaction equation
HRID 945370As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1293867 reaction equation
HRID 1293867As reactantuspto-grants-2007_07
HRID 1293882 reaction equation
HRID 1293882As reactantuspto-grants-2007_07
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Compound notes

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