4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

C17H17FN2O4S — CID 16922407

IUPAC4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C17H17FN2O4S/c1-12-2-6-14(7-3-12)20-11-15(24-17(20)21)10-19-25(22,23)16-8-4-13(18)5-9-16/h2-9,15,19H,10-11H2,1H3
InChIKeyPIBPHZYBZOXTTL-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.44
Rot. Bonds5

About 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 16922407) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID16922407
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C17H17FN2O4S/c1-12-2-6-14(7-3-12)20-11-15(24-17(20)21)10-19-25(22,23)16-8-4-13(18)5-9-16/h2-9,15,19H,10-11H2,1H3
InChIKeyPIBPHZYBZOXTTL-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]benzenesulfonamide
CID 934461
[2-[Methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 24979320
(S)-N-[[3-[4-(3,6-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 18684838
ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
CID 57403196
2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[[(2S)-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]acetamide
CID 74220915
2-[(4-Fluoro-benzenesulfonyl)-isopropyl-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide
CID 76072303
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide
CID 76072304
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
N-(3-Fluoro-phenyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206940
2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl N-(4-fluorophenyl)carbamate
CID 6096725
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2562653
N-[2-hydroxy-3-(pyrrolidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2913944

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 16922407) is 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is Cc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is PIBPHZYBZOXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-12-2-6-14(7-3-12)20-11-15(24-17(20)21)10-19-25(22,23)16-8-4-13(18)5-9-16/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16922407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).