2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine

C16H18BrNO2S — CID 64674245

IUPAC2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)(=O)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNO2S/c1-11-6-7-15(12(2)8-11)16(18)10-21(19,20)14-5-3-4-13(17)9-14/h3-9,16H,10,18H2,1-2H3
InChIKeyASVYJGSTQKTQEG-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine

2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 64674245) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine
PubChem CID64674245
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)(=O)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNO2S/c1-11-6-7-15(12(2)8-11)16(18)10-21(19,20)14-5-3-4-13(17)9-14/h3-9,16H,10,18H2,1-2H3
InChIKeyASVYJGSTQKTQEG-UHFFFAOYSA-N
XLogP3.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)sulfonylbutan-2-amine
CID 64675037
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646609
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(R)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500831
(S)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500829
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
CID 63430097

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine (CID 64674245) is 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)CS(=O)(=O)c2cccc(Br)c2)c(C)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is ASVYJGSTQKTQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11-6-7-15(12(2)8-11)16(18)10-21(19,20)14-5-3-4-13(17)9-14/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine?
2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 368.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 64674245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).