2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine

C15H15Cl2NO2S — CID 64674939

IUPAC2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
SMILESCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c1-18-14(11-6-3-2-4-7-11)10-21(19,20)15-12(16)8-5-9-13(15)17/h2-9,14,18H,10H2,1H3
InChIKeyVAKSMMLCVGMJDR-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.73
Rot. Bonds5

About 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine

2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine (PubChem CID 64674939) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
PubChem CID64674939
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
SMILESCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c1-18-14(11-6-3-2-4-7-11)10-21(19,20)15-12(16)8-5-9-13(15)17/h2-9,14,18H,10H2,1H3
InChIKeyVAKSMMLCVGMJDR-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile
CID 64692028
1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
CID 64675532
1,3-dichloro-2-(2,2-dimethoxyethylsulfonyl)benzene
CID 66224121
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide
CID 114231977
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine (CID 64674939) is 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine is CNC(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
The InChIKey is VAKSMMLCVGMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-18-14(11-6-3-2-4-7-11)10-21(19,20)15-12(16)8-5-9-13(15)17/h2-9,14,18H,10H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine has a molecular weight of 344.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine is sourced from PubChem (CID 64674939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).