(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine

C16H16F3NO2S — CID 9168030

IUPAC(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(S(=O)(=O)[C@@H](CN)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11-6-8-12(9-7-11)23(21,22)15(10-20)13-4-2-3-5-14(13)16(17,18)19/h2-9,15H,10,20H2,1H3/t15-/m0/s1
InChIKeyRFWTYYZNBDMKTA-HNNXBMFYSA-N
MW343.37 g/mol
LogP3.49
Rot. Bonds4

About (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine

(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 9168030) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID9168030
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(S(=O)(=O)[C@@H](CN)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11-6-8-12(9-7-11)23(21,22)15(10-20)13-4-2-3-5-14(13)16(17,18)19/h2-9,15H,10,20H2,1H3/t15-/m0/s1
InChIKeyRFWTYYZNBDMKTA-HNNXBMFYSA-N
XLogP3.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642213
[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 9167976
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 71816821
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321
[(2S)-2-thiophen-2-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 9167962
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 9168030) is (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine is Cc1ccc(S(=O)(=O)[C@@H](CN)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RFWTYYZNBDMKTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11-6-8-12(9-7-11)23(21,22)15(10-20)13-4-2-3-5-14(13)16(17,18)19/h2-9,15H,10,20H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine?
(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 343.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 9168030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).