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

C13H18FN3O3S — CID 71784664

IUPACN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)16-9-12(17-6-5-15-13(17)18)8-10-3-2-4-11(14)7-10/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,18)
InChIKeyRVUDCQJQFMHPPC-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.31
Rot. Bonds6

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

N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide (PubChem CID 71784664) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide
PubChem CID71784664
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)16-9-12(17-6-5-15-13(17)18)8-10-3-2-4-11(14)7-10/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,18)
InChIKeyRVUDCQJQFMHPPC-UHFFFAOYSA-N
XLogP0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.31
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]methanesulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide (CID 71784664) is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is RVUDCQJQFMHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-21(19,20)16-9-12(17-6-5-15-13(17)18)8-10-3-2-4-11(14)7-10/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,18).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide?
N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 315.37 g/mol, XLogP of 0.31, 6 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]methanesulfonamide is sourced from PubChem (CID 71784664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).