N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

C17H23FN2O3S — CID 131900553

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=C1CC(CNS(=O)(=O)Cc2ccc(F)cc2)CN1C1CCCC1
InChIInChI=1S/C17H23FN2O3S/c18-15-7-5-13(6-8-15)12-24(22,23)19-10-14-9-17(21)20(11-14)16-3-1-2-4-16/h5-8,14,16,19H,1-4,9-12H2
InChIKeyQUQHYDQOAUDTIZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.04
Rot. Bonds6

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 131900553) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID131900553
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=C1CC(CNS(=O)(=O)Cc2ccc(F)cc2)CN1C1CCCC1
InChIInChI=1S/C17H23FN2O3S/c18-15-7-5-13(6-8-15)12-24(22,23)19-10-14-9-17(21)20(11-14)16-3-1-2-4-16/h5-8,14,16,19H,1-4,9-12H2
InChIKeyQUQHYDQOAUDTIZ-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 131900553) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is O=C1CC(CNS(=O)(=O)Cc2ccc(F)cc2)CN1C1CCCC1.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is QUQHYDQOAUDTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-15-7-5-13(6-8-15)12-24(22,23)19-10-14-9-17(21)20(11-14)16-3-1-2-4-16/h5-8,14,16,19H,1-4,9-12H2.
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 131900553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).