4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide

C13H21BrN2O2S — CID 102995932

IUPAC4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O2S/c1-4-16(11-5-10-15(2)3)19(17,18)13-8-6-12(14)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeySBTDHJROCQNURD-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.41
Rot. Bonds7

About 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide

4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide (PubChem CID 102995932) has the molecular formula C13H21BrN2O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
PubChem CID102995932
Molecular FormulaC13H21BrN2O2S
Molecular Weight349.29 g/mol
Exact Mass348.05
IUPAC Name4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O2S/c1-4-16(11-5-10-15(2)3)19(17,18)13-8-6-12(14)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeySBTDHJROCQNURD-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
4-bromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylbenzenesulfonamide
CID 114263617
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide (CID 102995932) is 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
The InChIKey is SBTDHJROCQNURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S/c1-4-16(11-5-10-15(2)3)19(17,18)13-8-6-12(14)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 102995932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).