4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide

C16H19BrN2O2S — CID 46615150

IUPAC4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2S/c1-12(14-5-9-16(10-6-14)22(18,20)21)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11H2,1-2H3,(H2,18,20,21)
InChIKeyFLMBZGFTQIJESX-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.29
Rot. Bonds5

About 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide

4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide (PubChem CID 46615150) has the molecular formula C16H19BrN2O2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
PubChem CID46615150
Molecular FormulaC16H19BrN2O2S
Molecular Weight383.31 g/mol
Exact Mass382.04
IUPAC Name4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2S/c1-12(14-5-9-16(10-6-14)22(18,20)21)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11H2,1-2H3,(H2,18,20,21)
InChIKeyFLMBZGFTQIJESX-UHFFFAOYSA-N
XLogP3.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
4-[1-[(2-bromo-4-fluorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 16594985
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
CID 37303014
4-bromobenzenesulfonamide;ethane
CID 143929211
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 124885486
4-[1-[(2-cyanophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615077

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide (CID 46615150) is 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The InChIKey is FLMBZGFTQIJESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2S/c1-12(14-5-9-16(10-6-14)22(18,20)21)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide has a molecular weight of 383.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 46615150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).