2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide

C15H16FNO2S2 — CID 100749437

IUPAC2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide
SMILESNS(=O)(=O)CCS[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S2/c16-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)20-10-11-21(17,18)19/h1-9,15H,10-11H2,(H2,17,18,19)/t15-/m0/s1
InChIKeyQLXPJLHHNPSXBH-HNNXBMFYSA-N
MW325.43 g/mol
LogP2.94
Rot. Bonds6

About 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide

2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide (PubChem CID 100749437) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide.

Molecular Properties

Compound Name2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide
PubChem CID100749437
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide
SMILESNS(=O)(=O)CCS[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S2/c16-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)20-10-11-21(17,18)19/h1-9,15H,10-11H2,(H2,17,18,19)/t15-/m0/s1
InChIKeyQLXPJLHHNPSXBH-HNNXBMFYSA-N
XLogP2.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
CID 134849362
[2-bromoethylsulfanyl(phenyl)methyl]benzene
CID 90389506
(4-fluorophenyl)-phenylmethanamine
CID 11183272
2,2-diphenylethanesulfonamide
CID 68954742
1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene
CID 134849357
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97320765
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
2-benzhydrylsulfanyl-N,N-dimethylethanamine
CID 3028320
[(4-fluorophenyl)-phenylmethyl]chloranium
CID 142220193
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
potassium;hydride;2-phenylethanesulfonamide
CID 173120901

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide?
The IUPAC name of 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide (CID 100749437) is 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide.
What is the SMILES notation for 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide?
The canonical SMILES for 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide is NS(=O)(=O)CCS[C@@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide?
The InChIKey is QLXPJLHHNPSXBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c16-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)20-10-11-21(17,18)19/h1-9,15H,10-11H2,(H2,17,18,19)/t15-/m0/s1.
What are the key properties of 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide?
2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide is sourced from PubChem (CID 100749437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).