N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H23FN2O3S — CID 16919707

IUPACN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3S/c22-18-6-8-19(9-7-18)24-14-15(11-21(24)25)13-23-28(26,27)20-10-5-16-3-1-2-4-17(16)12-20/h5-10,12,15,23H,1-4,11,13-14H2
InChIKeyHRYKBFGZTSKMHO-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 16919707) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID16919707
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3S/c22-18-6-8-19(9-7-18)24-14-15(11-21(24)25)13-23-28(26,27)20-10-5-16-3-1-2-4-17(16)12-20/h5-10,12,15,23H,1-4,11,13-14H2
InChIKeyHRYKBFGZTSKMHO-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40912286
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40911982
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-nitrobenzenesulfonamide
CID 16919680
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40912181
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919671
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919638
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 40912404

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 16919707) is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C1CC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is HRYKBFGZTSKMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c22-18-6-8-19(9-7-18)24-14-15(11-21(24)25)13-23-28(26,27)20-10-5-16-3-1-2-4-17(16)12-20/h5-10,12,15,23H,1-4,11,13-14H2.
What are the key properties of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 402.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 16919707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).