[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium

C14H14ClFNO2S+ — CID 9162066

IUPAC[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
SMILES[NH3+]C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-11-3-1-2-10(8-11)14(9-17)20(18,19)13-6-4-12(16)5-7-13/h1-8,14H,9,17H2/p+1/t14-/m0/s1
InChIKeyWOKVXQFJGSHYHP-AWEZNQCLSA-O
MW314.79 g/mol
LogP2.24
Rot. Bonds4

About [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium

[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium (PubChem CID 9162066) has the molecular formula C14H14ClFNO2S+ and a molecular weight of 314.79 g/mol. Its IUPAC name is [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
PubChem CID9162066
Molecular FormulaC14H14ClFNO2S+
Molecular Weight314.79 g/mol
Exact Mass314.04
IUPAC Name[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
SMILES[NH3+]C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-11-3-1-2-10(8-11)14(9-17)20(18,19)13-6-4-12(16)5-7-13/h1-8,14H,9,17H2/p+1/t14-/m0/s1
InChIKeyWOKVXQFJGSHYHP-AWEZNQCLSA-O
XLogP2.24
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161837
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
[(2R)-2-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9168510
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
CID 9161700

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium?
The IUPAC name of [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium (CID 9162066) is [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium.
What is the SMILES notation for [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium?
The canonical SMILES for [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium is [NH3+]C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium?
The InChIKey is WOKVXQFJGSHYHP-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H13ClFNO2S/c15-11-3-1-2-10(8-11)14(9-17)20(18,19)13-6-4-12(16)5-7-13/h1-8,14H,9,17H2/p+1/t14-/m0/s1.
What are the key properties of [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium?
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium has a molecular weight of 314.79 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium is sourced from PubChem (CID 9162066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).