N-benzyl-2-(4-fluorophenyl)sulfonylacetamide

C15H14FNO3S — CID 7254487

IUPACN-benzyl-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C15H14FNO3S/c16-13-6-8-14(9-7-13)21(19,20)11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyITXQSSDVHSJKQF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.92
Rot. Bonds5

About N-benzyl-2-(4-fluorophenyl)sulfonylacetamide

N-benzyl-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 7254487) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID7254487
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-benzyl-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C15H14FNO3S/c16-13-6-8-14(9-7-13)21(19,20)11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyITXQSSDVHSJKQF-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfonylacetamide (CID 7254487) is N-benzyl-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is ITXQSSDVHSJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-6-8-14(9-7-13)21(19,20)11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-benzyl-2-(4-fluorophenyl)sulfonylacetamide?
N-benzyl-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 307.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 7254487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).