[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium

C15H17FNO2S+ — CID 9161837

IUPAC[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
SMILESCc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO2S/c1-11-3-2-4-12(9-11)15(10-17)20(18,19)14-7-5-13(16)6-8-14/h2-9,15H,10,17H2,1H3/p+1/t15-/m0/s1
InChIKeyLPIHFELLBOVVKI-HNNXBMFYSA-O
MW294.37 g/mol
LogP1.89
Rot. Bonds4

About [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium

[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium (PubChem CID 9161837) has the molecular formula C15H17FNO2S+ and a molecular weight of 294.37 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
PubChem CID9161837
Molecular FormulaC15H17FNO2S+
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
SMILESCc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO2S/c1-11-3-2-4-12(9-11)15(10-17)20(18,19)14-7-5-13(16)6-8-14/h2-9,15H,10,17H2,1H3/p+1/t15-/m0/s1
InChIKeyLPIHFELLBOVVKI-HNNXBMFYSA-O
XLogP1.89
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9162066
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
[(2R)-2-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9168510
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 93207092

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
The IUPAC name of [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium (CID 9161837) is [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium is Cc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
The InChIKey is LPIHFELLBOVVKI-HNNXBMFYSA-O. The full InChI is InChI=1S/C15H16FNO2S/c1-11-3-2-4-12(9-11)15(10-17)20(18,19)14-7-5-13(16)6-8-14/h2-9,15H,10,17H2,1H3/p+1/t15-/m0/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium has a molecular weight of 294.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium is sourced from PubChem (CID 9161837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).