2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide

C18H15FN2O4S — CID 90554129

IUPAC2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
SMILESO=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H15FN2O4S/c19-16-5-1-2-6-17(16)26(23,24)20-11-3-4-14-7-9-15(10-8-14)21-12-13-25-18(21)22/h1-2,5-10,20H,11-13H2
InChIKeyJZQCUNMVTHIHGI-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.11
Rot. Bonds4

About 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide

2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide (PubChem CID 90554129) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
PubChem CID90554129
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
SMILESO=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H15FN2O4S/c19-16-5-1-2-6-17(16)26(23,24)20-11-3-4-14-7-9-15(10-8-14)21-12-13-25-18(21)22/h1-2,5-10,20H,11-13H2
InChIKeyJZQCUNMVTHIHGI-UHFFFAOYSA-N
XLogP2.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide (CID 90554129) is 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide is O=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The InChIKey is JZQCUNMVTHIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-16-5-1-2-6-17(16)26(23,24)20-11-3-4-14-7-9-15(10-8-14)21-12-13-25-18(21)22/h1-2,5-10,20H,11-13H2.
What are the key properties of 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide has a molecular weight of 374.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 90554129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).