[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium

C14H15FNO2S+ — CID 9161761

IUPAC[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
SMILES[NH3+]C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/p+1/t14-/m0/s1
InChIKeyLDSOYUMEFGOXCO-AWEZNQCLSA-O
MW280.34 g/mol
LogP1.58
Rot. Bonds4

About [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium

[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium (PubChem CID 9161761) has the molecular formula C14H15FNO2S+ and a molecular weight of 280.34 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
PubChem CID9161761
Molecular FormulaC14H15FNO2S+
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
SMILES[NH3+]C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/p+1/t14-/m0/s1
InChIKeyLDSOYUMEFGOXCO-AWEZNQCLSA-O
XLogP1.58
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9162066
[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161837
[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168569
[(2R)-2-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9168510
2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
CID 110633347
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
CID 9161906
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
CID 108804458

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium?
The IUPAC name of [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium (CID 9161761) is [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium is [NH3+]C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium?
The InChIKey is LDSOYUMEFGOXCO-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H14FNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/p+1/t14-/m0/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium?
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium has a molecular weight of 280.34 g/mol, XLogP of 1.58, 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-phenylethyl]azanium is sourced from PubChem (CID 9161761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).