(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine

C14H14FNO2S — CID 9161758

IUPAC(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
SMILESNC[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/t14-/m1/s1
InChIKeyLDSOYUMEFGOXCO-CQSZACIVSA-N
MW279.34 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine

(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine (PubChem CID 9161758) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
PubChem CID9161758
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
SMILESNC[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/t14-/m1/s1
InChIKeyLDSOYUMEFGOXCO-CQSZACIVSA-N
XLogP2.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
CID 110633347
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfonylpentan-1-amine
CID 118519663
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9162066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine (CID 9161758) is (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine is NC[C@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine?
The InChIKey is LDSOYUMEFGOXCO-CQSZACIVSA-N. 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/t14-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine?
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine is sourced from PubChem (CID 9161758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).