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

C13H21FN2O2S — CID 71677772

IUPACN-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUKOZIEJMLUYTMK-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.59
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 71677772) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID71677772
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUKOZIEJMLUYTMK-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 71677772) is N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide is CCN(CC)CCNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is UKOZIEJMLUYTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71677772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).