2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine

C15H16FNO3S — CID 64639033

IUPAC2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H16FNO3S/c1-20-12-8-6-11(7-9-12)14(17)10-21(18,19)15-5-3-2-4-13(15)16/h2-9,14H,10,17H2,1H3
InChIKeyZZVFCUPFZQZKGI-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.31
Rot. Bonds5

About 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine

2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64639033) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64639033
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H16FNO3S/c1-20-12-8-6-11(7-9-12)14(17)10-21(18,19)15-5-3-2-4-13(15)16/h2-9,14H,10,17H2,1H3
InChIKeyZZVFCUPFZQZKGI-UHFFFAOYSA-N
XLogP2.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
2-[(2-fluorophenyl)methoxy]-1-(4-methoxyphenyl)ethanamine
CID 63932424
2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64674038
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
CID 68541981
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine (CID 64639033) is 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is ZZVFCUPFZQZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-12-8-6-11(7-9-12)14(17)10-21(18,19)15-5-3-2-4-13(15)16/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 309.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64639033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).