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

C11H11FN2O3S — CID 113234246

IUPACN-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1cccc(F)c1C#N)S(C)(=O)=O
InChIInChI=1S/C11H11FN2O3S/c1-7(18(2,16)17)11(15)14-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3,(H,14,15)
InChIKeyTUAFWPYFFMYNBO-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.07
Rot. Bonds3

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

N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide (PubChem CID 113234246) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide
PubChem CID113234246
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1cccc(F)c1C#N)S(C)(=O)=O
InChIInChI=1S/C11H11FN2O3S/c1-7(18(2,16)17)11(15)14-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3,(H,14,15)
InChIKeyTUAFWPYFFMYNBO-UHFFFAOYSA-N
XLogP1.07
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760
N-(2-carbamothioyl-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 104519330
3-[(2-cyano-3-fluorophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61201782
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228
2-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639026
(2S)-2-amino-N-(2-cyano-3-fluorophenyl)-4-methylsulfanylbutanamide
CID 61154404
4-[(2-cyano-3-fluorophenyl)carbamoylamino]-2-methylbutanoic acid
CID 80540878
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide (CID 113234246) is N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide is CC(C(=O)Nc1cccc(F)c1C#N)S(C)(=O)=O.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide?
The InChIKey is TUAFWPYFFMYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-7(18(2,16)17)11(15)14-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3,(H,14,15).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide?
N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide has a molecular weight of 270.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 113234246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).