3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide

C17H24FN3O4S — CID 46071315

IUPAC3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCCN2CCCC2=O)C1c1cccc(F)c1
InChIInChI=1S/C17H24FN3O4S/c1-20-17(13-5-2-6-14(18)11-13)15(12-25-20)26(23,24)19-8-4-10-21-9-3-7-16(21)22/h2,5-6,11,15,17,19H,3-4,7-10,12H2,1H3
InChIKeyXPOMRNCERHFEBD-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.04
Rot. Bonds7

About 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide

3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071315) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID46071315
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCCN2CCCC2=O)C1c1cccc(F)c1
InChIInChI=1S/C17H24FN3O4S/c1-20-17(13-5-2-6-14(18)11-13)15(12-25-20)26(23,24)19-8-4-10-21-9-3-7-16(21)22/h2,5-6,11,15,17,19H,3-4,7-10,12H2,1H3
InChIKeyXPOMRNCERHFEBD-UHFFFAOYSA-N
XLogP1.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide (CID 46071315) is 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCCCN2CCCC2=O)C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is XPOMRNCERHFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-20-17(13-5-2-6-14(18)11-13)15(12-25-20)26(23,24)19-8-4-10-21-9-3-7-16(21)22/h2,5-6,11,15,17,19H,3-4,7-10,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide?
3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 385.46 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).