N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide

C15H22FNO3S — CID 126799451

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)CCC1CCOC1
InChIInChI=1S/C15H22FNO3S/c1-12(14-3-5-15(16)6-4-14)17(2)21(18,19)10-8-13-7-9-20-11-13/h3-6,12-13H,7-11H2,1-2H3
InChIKeyRRZBDSSYZZKCSG-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.57
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide (PubChem CID 126799451) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide
PubChem CID126799451
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)CCC1CCOC1
InChIInChI=1S/C15H22FNO3S/c1-12(14-3-5-15(16)6-4-14)17(2)21(18,19)10-8-13-7-9-20-11-13/h3-6,12-13H,7-11H2,1-2H3
InChIKeyRRZBDSSYZZKCSG-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.57
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-(oxolan-3-yl)ethanesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide (CID 126799451) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide is CC(c1ccc(F)cc1)N(C)S(=O)(=O)CCC1CCOC1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide?
The InChIKey is RRZBDSSYZZKCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-12(14-3-5-15(16)6-4-14)17(2)21(18,19)10-8-13-7-9-20-11-13/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(oxolan-3-yl)ethanesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.57, 6 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-(oxolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 126799451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).