N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C17H23FN2O3S — CID 131926041

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3S/c1-19(24(22,23)16-8-6-14(18)7-9-16)11-13-10-17(21)20(12-13)15-4-2-3-5-15/h6-9,13,15H,2-5,10-12H2,1H3
InChIKeyVKKWVBQFEGHFFN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.24
Rot. Bonds5

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 131926041) 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]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID131926041
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3S/c1-19(24(22,23)16-8-6-14(18)7-9-16)11-13-10-17(21)20(12-13)15-4-2-3-5-15/h6-9,13,15H,2-5,10-12H2,1H3
InChIKeyVKKWVBQFEGHFFN-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
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]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 131926041) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is CN(CC1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VKKWVBQFEGHFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-19(24(22,23)16-8-6-14(18)7-9-16)11-13-10-17(21)20(12-13)15-4-2-3-5-15/h6-9,13,15H,2-5,10-12H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 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]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 131926041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).