2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine

C16H19NO3S — CID 64646152

IUPAC2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
SMILESCOc1cccc(S(=O)(=O)CC(N)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-12-6-8-13(9-7-12)16(17)11-21(18,19)15-5-3-4-14(10-15)20-2/h3-10,16H,11,17H2,1-2H3
InChIKeyYLEGIXSYSPCQPP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine

2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine (PubChem CID 64646152) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
PubChem CID64646152
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
SMILESCOc1cccc(S(=O)(=O)CC(N)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-12-6-8-13(9-7-12)16(17)11-21(18,19)15-5-3-4-14(10-15)20-2/h3-10,16H,11,17H2,1-2H3
InChIKeyYLEGIXSYSPCQPP-UHFFFAOYSA-N
XLogP2.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64674038
3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64699404
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64675130
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753897
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
3-methoxybenzenesulfonamide
CID 14763060
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
CID 64675228
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine (CID 64646152) is 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine is COc1cccc(S(=O)(=O)CC(N)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
The InChIKey is YLEGIXSYSPCQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-6-8-13(9-7-12)16(17)11-21(18,19)15-5-3-4-14(10-15)20-2/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64646152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).