4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

C12H17BrCl2N2O2S — CID 4967816

IUPAC4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H17BrCl2N2O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3
InChIKeyJLGQLUOOTBBHQM-UHFFFAOYSA-N
MW404.16 g/mol
LogP3.38
Rot. Bonds7

About 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 4967816) has the molecular formula C12H17BrCl2N2O2S and a molecular weight of 404.16 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID4967816
Molecular FormulaC12H17BrCl2N2O2S
Molecular Weight404.16 g/mol
Exact Mass401.96
IUPAC Name4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H17BrCl2N2O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3
InChIKeyJLGQLUOOTBBHQM-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
CID 63422598
2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
CID 103170957

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 4967816) is 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is JLGQLUOOTBBHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrCl2N2O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 404.16 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4967816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).