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

C21H23ClN2O3S — CID 40912286

IUPACN-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O3S/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/t15-/m0/s1
InChIKeyJFWUYQKOQVHMER-HNNXBMFYSA-N
MW418.95 g/mol
LogP3.55
Rot. Bonds5

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

N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 40912286) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID40912286
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC NameN-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O3S/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/t15-/m0/s1
InChIKeyJFWUYQKOQVHMER-HNNXBMFYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16919707
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40911982
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-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919756
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40912290
3-chloro-N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912077
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 40912286) is N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(Cl)cc1.
What is the InChIKey of N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JFWUYQKOQVHMER-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/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/t15-/m0/s1.
What are the key properties of N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 418.95 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 40912286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).