(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide

C16H16FNO3S — CID 11255697

IUPAC(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO3S/c1-11(16(19)18-22(2,20)21)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyOGVRRESTIPQZPD-NSHDSACASA-N
MW321.37 g/mol
LogP2.67
Rot. Bonds4

About (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide

(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide (PubChem CID 11255697) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
PubChem CID11255697
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO3S/c1-11(16(19)18-22(2,20)21)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyOGVRRESTIPQZPD-NSHDSACASA-N
XLogP2.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide?
The IUPAC name of (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide (CID 11255697) is (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide?
The canonical SMILES for (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide is C[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide?
The InChIKey is OGVRRESTIPQZPD-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-11(16(19)18-22(2,20)21)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide?
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide has a molecular weight of 321.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 11255697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).