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

C17H17FN2O4S — CID 51118413

IUPAC2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2cccc(N3CCOC3=O)c2)c1
InChIInChI=1S/C17H17FN2O4S/c1-12-5-6-15(18)16(9-12)25(22,23)19-11-13-3-2-4-14(10-13)20-7-8-24-17(20)21/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyIDGHRVVFFAWDSG-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.57
Rot. Bonds5

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

2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 51118413) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide
PubChem CID51118413
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2cccc(N3CCOC3=O)c2)c1
InChIInChI=1S/C17H17FN2O4S/c1-12-5-6-15(18)16(9-12)25(22,23)19-11-13-3-2-4-14(10-13)20-7-8-24-17(20)21/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyIDGHRVVFFAWDSG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide (CID 51118413) is 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCc2cccc(N3CCOC3=O)c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is IDGHRVVFFAWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-12-5-6-15(18)16(9-12)25(22,23)19-11-13-3-2-4-14(10-13)20-7-8-24-17(20)21/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 51118413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).