2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide

C11H15FN2O3S — CID 18170875

IUPAC2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O3S/c1-8(2)14(7-11(13)15)18(16,17)10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyJGUDQCGYFCSCLC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.71
Rot. Bonds5

About 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide

2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 18170875) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID18170875
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O3S/c1-8(2)14(7-11(13)15)18(16,17)10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyJGUDQCGYFCSCLC-UHFFFAOYSA-N
XLogP0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576035
2-[(3-cyano-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 63239746
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
4-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]-2-chlorobenzoic acid
CID 107089932
N-(2-aminoethyl)-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 55243728
N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
CID 113220115
2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 17470000
2-[(3-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 71555901
2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56810268

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide (CID 18170875) is 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is JGUDQCGYFCSCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-8(2)14(7-11(13)15)18(16,17)10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 18170875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).