2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide

C18H14FNO3S2 — CID 159364132

IUPAC2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C18H14FNO3S2/c19-16-6-1-2-7-18(16)25(22,23)20-11-17(21)14-5-3-4-13(10-14)15-8-9-24-12-15/h1-10,12,20H,11H2
InChIKeyLIXIVAHRPDMEGX-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.72
Rot. Bonds6

About 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide

2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 159364132) has the molecular formula C18H14FNO3S2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide
PubChem CID159364132
Molecular FormulaC18H14FNO3S2
Molecular Weight375.45 g/mol
Exact Mass375.04
IUPAC Name2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C18H14FNO3S2/c19-16-6-1-2-7-18(16)25(22,23)20-11-17(21)14-5-3-4-13(10-14)15-8-9-24-12-15/h1-10,12,20H,11H2
InChIKeyLIXIVAHRPDMEGX-UHFFFAOYSA-N
XLogP3.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide (CID 159364132) is 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LIXIVAHRPDMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S2/c19-16-6-1-2-7-18(16)25(22,23)20-11-17(21)14-5-3-4-13(10-14)15-8-9-24-12-15/h1-10,12,20H,11H2.
What are the key properties of 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide?
2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(3-thiophen-3-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 159364132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).