(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine

C15H16FNO3S — CID 9167384

IUPAC(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](CN)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-20-13-4-2-3-11(9-13)15(10-17)21(18,19)14-7-5-12(16)6-8-14/h2-9,15H,10,17H2,1H3/t15-/m1/s1
InChIKeyURBLBAWRNFMGSC-OAHLLOKOSA-N
MW309.36 g/mol
LogP2.31
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine

(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 9167384) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
PubChem CID9167384
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](CN)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-20-13-4-2-3-11(9-13)15(10-17)21(18,19)14-7-5-12(16)6-8-14/h2-9,15H,10,17H2,1H3/t15-/m1/s1
InChIKeyURBLBAWRNFMGSC-OAHLLOKOSA-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-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine (CID 9167384) is (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](CN)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is URBLBAWRNFMGSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-13-4-2-3-11(9-13)15(10-17)21(18,19)14-7-5-12(16)6-8-14/h2-9,15H,10,17H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine?
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-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 (2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 9167384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).