[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium

C14H15FNO2S+ — CID 9161906

IUPAC[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
SMILES[NH3+]C[C@@H](c1ccccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14FNO2S/c15-13-9-5-4-8-12(13)14(10-16)19(17,18)11-6-2-1-3-7-11/h1-9,14H,10,16H2/p+1/t14-/m0/s1
InChIKeyBUIKMDDTWFNSAK-AWEZNQCLSA-O
MW280.34 g/mol
LogP1.58
Rot. Bonds4

About [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium

[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium (PubChem CID 9161906) has the molecular formula C14H15FNO2S+ and a molecular weight of 280.34 g/mol. Its IUPAC name is [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
PubChem CID9161906
Molecular FormulaC14H15FNO2S+
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
SMILES[NH3+]C[C@@H](c1ccccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14FNO2S/c15-13-9-5-4-8-12(13)14(10-16)19(17,18)11-6-2-1-3-7-11/h1-9,14H,10,16H2/p+1/t14-/m0/s1
InChIKeyBUIKMDDTWFNSAK-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

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Related Compounds

[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 9167976
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168569
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
CID 9161700
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium
CID 7263376
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161837
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9162066
[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079056

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium?
The IUPAC name of [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium (CID 9161906) is [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium.
What is the SMILES notation for [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium?
The canonical SMILES for [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium is [NH3+]C[C@@H](c1ccccc1F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium?
The InChIKey is BUIKMDDTWFNSAK-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H14FNO2S/c15-13-9-5-4-8-12(13)14(10-16)19(17,18)11-6-2-1-3-7-11/h1-9,14H,10,16H2/p+1/t14-/m0/s1.
What are the key properties of [(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium?
[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]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-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 9161906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).