2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide

C12H19BrN2O2S — CID 8716607

IUPAC2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyNRBOGTCJTWKTKO-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.07
Rot. Bonds7

About 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide

2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 8716607) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID8716607
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyNRBOGTCJTWKTKO-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 16788421
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 8716607) is 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is NRBOGTCJTWKTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide?
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 8716607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).