N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide

C17H18FNO3S — CID 43034666

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H18FNO3S/c1-12(13-8-10-14(18)11-9-13)19(2)17(20)15-6-4-5-7-16(15)23(3,21)22/h4-12H,1-3H3
InChIKeySAFOUNOGGQDLEO-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide (PubChem CID 43034666) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide
PubChem CID43034666
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H18FNO3S/c1-12(13-8-10-14(18)11-9-13)19(2)17(20)15-6-4-5-7-16(15)23(3,21)22/h4-12H,1-3H3
InChIKeySAFOUNOGGQDLEO-UHFFFAOYSA-N
XLogP3.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide (CID 43034666) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide is CC(c1ccc(F)cc1)N(C)C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide?
The InChIKey is SAFOUNOGGQDLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12(13-8-10-14(18)11-9-13)19(2)17(20)15-6-4-5-7-16(15)23(3,21)22/h4-12H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide has a molecular weight of 335.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide is sourced from PubChem (CID 43034666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).