N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide

C21H16FN3O5S — CID 58664927

IUPACN-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
SMILESO=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C21H16FN3O5S/c22-14-5-10-19(23-13-14)20(26)17-3-1-2-4-18(17)24-31(28,29)16-8-6-15(7-9-16)25-11-12-30-21(25)27/h1-10,13,24H,11-12H2
InChIKeyMBTAOICPSHUICU-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide

N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide (PubChem CID 58664927) has the molecular formula C21H16FN3O5S and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
PubChem CID58664927
Molecular FormulaC21H16FN3O5S
Molecular Weight441.44 g/mol
Exact Mass441.08
IUPAC NameN-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
SMILESO=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C21H16FN3O5S/c22-14-5-10-19(23-13-14)20(26)17-3-1-2-4-18(17)24-31(28,29)16-8-6-15(7-9-16)25-11-12-30-21(25)27/h1-10,13,24H,11-12H2
InChIKeyMBTAOICPSHUICU-UHFFFAOYSA-N
XLogP3.21
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide (CID 58664927) is N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide is O=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
The InChIKey is MBTAOICPSHUICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O5S/c22-14-5-10-19(23-13-14)20(26)17-3-1-2-4-18(17)24-31(28,29)16-8-6-15(7-9-16)25-11-12-30-21(25)27/h1-10,13,24H,11-12H2.
What are the key properties of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide has a molecular weight of 441.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 58664927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).