N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide

C14H20FN3O3S — CID 71784665

IUPACN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C14H20FN3O3S/c1-2-22(20,21)17-10-13(18-7-6-16-14(18)19)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,2,6-7,9-10H2,1H3,(H,16,19)
InChIKeyBWSIZOBBGRWGAY-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.70
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide

N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide (PubChem CID 71784665) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide
PubChem CID71784665
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C14H20FN3O3S/c1-2-22(20,21)17-10-13(18-7-6-16-14(18)19)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,2,6-7,9-10H2,1H3,(H,16,19)
InChIKeyBWSIZOBBGRWGAY-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide (CID 71784665) is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide?
The InChIKey is BWSIZOBBGRWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-2-22(20,21)17-10-13(18-7-6-16-14(18)19)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,2,6-7,9-10H2,1H3,(H,16,19).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide?
N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 71784665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).