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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071391
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
2-[[ethylamino-[3-(2-oxopyrrolidin-1-yl)propylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111147672
2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 72875005
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147042
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
N-[3-(3-fluorophenoxy)oxan-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 156609816

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).