2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

C16H14F2N2O3S — CID 71835736

IUPAC2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2F)CCN1c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O3S/c17-11-5-7-12(8-6-11)20-10-9-14(16(20)21)19-24(22,23)15-4-2-1-3-13(15)18/h1-8,14,19H,9-10H2
InChIKeyYEQJQABXWVJCII-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.05
Rot. Bonds4

About 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 71835736) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID71835736
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2F)CCN1c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O3S/c17-11-5-7-12(8-6-11)20-10-9-14(16(20)21)19-24(22,23)15-4-2-1-3-13(15)18/h1-8,14,19H,9-10H2
InChIKeyYEQJQABXWVJCII-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (CID 71835736) is 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is O=C1C(NS(=O)(=O)c2ccccc2F)CCN1c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is YEQJQABXWVJCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-11-5-7-12(8-6-11)20-10-9-14(16(20)21)19-24(22,23)15-4-2-1-3-13(15)18/h1-8,14,19H,9-10H2.
What are the key properties of 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 71835736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).