5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide

C12H19BrN2O3S — CID 2561925

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C12H19BrN2O3S/c1-4-18-11-6-5-10(13)9-12(11)19(16,17)14-7-8-15(2)3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyYXJITQVFEYTKOF-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.69
Rot. Bonds7

About 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide

5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide (PubChem CID 2561925) has the molecular formula C12H19BrN2O3S and a molecular weight of 351.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
PubChem CID2561925
Molecular FormulaC12H19BrN2O3S
Molecular Weight351.27 g/mol
Exact Mass350.03
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C12H19BrN2O3S/c1-4-18-11-6-5-10(13)9-12(11)19(16,17)14-7-8-15(2)3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyYXJITQVFEYTKOF-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide
CID 9209536
5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 62032156
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615074
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 1294409
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide (CID 2561925) is 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The InChIKey is YXJITQVFEYTKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S/c1-4-18-11-6-5-10(13)9-12(11)19(16,17)14-7-8-15(2)3/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2561925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).