N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

C14H13FN2O3S2 — CID 16805981

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3S2/c15-10-3-5-12(6-4-10)17-9-11(8-13(17)18)16-22(19,20)14-2-1-7-21-14/h1-7,11,16H,8-9H2
InChIKeyFYGQABHFBLYAHU-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 16805981) has the molecular formula C14H13FN2O3S2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID16805981
Molecular FormulaC14H13FN2O3S2
Molecular Weight340.40 g/mol
Exact Mass340.04
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3S2/c15-10-3-5-12(6-4-10)17-9-11(8-13(17)18)16-22(19,20)14-2-1-7-21-14/h1-7,11,16H,8-9H2
InChIKeyFYGQABHFBLYAHU-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 16805981) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is O=C1CC(NS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is FYGQABHFBLYAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S2/c15-10-3-5-12(6-4-10)17-9-11(8-13(17)18)16-22(19,20)14-2-1-7-21-14/h1-7,11,16H,8-9H2.
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 340.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 16805981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).