(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine

C15H16FNO2S — CID 9161877

IUPAC(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](CN)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-2-4-12(5-3-11)15(10-17)20(18,19)14-8-6-13(16)7-9-14/h2-9,15H,10,17H2,1H3/t15-/m0/s1
InChIKeyJJNRUPJMSIGAMB-HNNXBMFYSA-N
MW293.36 g/mol
LogP2.61
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine

(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine (PubChem CID 9161877) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
PubChem CID9161877
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](CN)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-2-4-12(5-3-11)15(10-17)20(18,19)14-8-6-13(16)7-9-14/h2-9,15H,10,17H2,1H3/t15-/m0/s1
InChIKeyJJNRUPJMSIGAMB-HNNXBMFYSA-N
XLogP2.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 22901544
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
[(2S)-2-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168606
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 9168030
2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642213
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine (CID 9161877) is (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine is Cc1ccc([C@H](CN)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine?
The InChIKey is JJNRUPJMSIGAMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-2-4-12(5-3-11)15(10-17)20(18,19)14-8-6-13(16)7-9-14/h2-9,15H,10,17H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine?
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 9161877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).