(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C16H16F3NO3S — CID 9168137

IUPAC(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc(S(=O)(=O)[C@H](CN)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NO3S/c1-23-13-5-7-14(8-6-13)24(21,22)15(10-20)11-3-2-4-12(9-11)16(17,18)19/h2-9,15H,10,20H2,1H3/t15-/m1/s1
InChIKeyJOFGDLJYKZCVPF-OAHLLOKOSA-N
MW359.37 g/mol
LogP3.19
Rot. Bonds5

About (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine

(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 9168137) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID9168137
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc(S(=O)(=O)[C@H](CN)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NO3S/c1-23-13-5-7-14(8-6-13)24(21,22)15(10-20)11-3-2-4-12(9-11)16(17,18)19/h2-9,15H,10,20H2,1H3/t15-/m1/s1
InChIKeyJOFGDLJYKZCVPF-OAHLLOKOSA-N
XLogP3.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 9168217
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 9168137) is (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine is COc1ccc(S(=O)(=O)[C@H](CN)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JOFGDLJYKZCVPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-23-13-5-7-14(8-6-13)24(21,22)15(10-20)11-3-2-4-12(9-11)16(17,18)19/h2-9,15H,10,20H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 359.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 9168137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).