N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide

C17H18FNO3S — CID 42907021

IUPACN-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C17H18FNO3S/c1-12(15-5-3-4-6-16(15)18)19-17(20)14-9-7-13(8-10-14)11-23(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyYXFRZZVCDGVSOD-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide

N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 42907021) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID42907021
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C17H18FNO3S/c1-12(15-5-3-4-6-16(15)18)19-17(20)14-9-7-13(8-10-14)11-23(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyYXFRZZVCDGVSOD-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (CID 42907021) is N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is CC(NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is YXFRZZVCDGVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12(15-5-3-4-6-16(15)18)19-17(20)14-9-7-13(8-10-14)11-23(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 335.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 42907021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).