2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

C10H13FN2O3S — CID 2990079

IUPAC2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(N)=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O3S/c1-17(15,16)13(7-10(12)14)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyBHMGGGRGGYJMAX-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.07
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 2990079) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID2990079
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(N)=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O3S/c1-17(15,16)13(7-10(12)14)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyBHMGGGRGGYJMAX-UHFFFAOYSA-N
XLogP0.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 2990079) is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(N)=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is BHMGGGRGGYJMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-17(15,16)13(7-10(12)14)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,14).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 260.29 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 2990079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).