N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide

C16H18FNO3S — CID 42841820

IUPACN-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(C(C)c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C16H18FNO3S/c1-12(15-6-4-5-7-16(15)17)18(22(3,19)20)13-8-10-14(21-2)11-9-13/h4-12H,1-3H3
InChIKeyWNEFHTXGHFXMGL-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide

N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 42841820) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide
PubChem CID42841820
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(C(C)c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C16H18FNO3S/c1-12(15-6-4-5-7-16(15)17)18(22(3,19)20)13-8-10-14(21-2)11-9-13/h4-12H,1-3H3
InChIKeyWNEFHTXGHFXMGL-UHFFFAOYSA-N
XLogP3.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide (CID 42841820) is N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(N(C(C)c2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is WNEFHTXGHFXMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12(15-6-4-5-7-16(15)17)18(22(3,19)20)13-8-10-14(21-2)11-9-13/h4-12H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide?
N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 42841820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).