(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide

C10H12FNO3S — CID 51947115

IUPAC(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyQIUMZVJYSAWOOK-ZETCQYMHSA-N
MW245.27 g/mol
LogP1.20
Rot. Bonds3

About (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide

(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide (PubChem CID 51947115) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
PubChem CID51947115
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyQIUMZVJYSAWOOK-ZETCQYMHSA-N
XLogP1.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
methyl 3-(2-methylsulfonylpropanoylamino)benzoate
CID 113223100
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520210
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfonylpropanamide
CID 51080513
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 129397345

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide (CID 51947115) is (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide is C[C@@H](C(=O)Nc1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide?
The InChIKey is QIUMZVJYSAWOOK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide?
(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide has a molecular weight of 245.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 51947115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).