4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide

C17H16ClFN2O3S — CID 40912142

IUPAC4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-13-1-7-16(8-2-13)25(23,24)20-10-12-9-17(22)21(11-12)15-5-3-14(19)4-6-15/h1-8,12,20H,9-11H2/t12-/m1/s1
InChIKeyICXNIBNULDBTRM-GFCCVEGCSA-N
MW382.84 g/mol
LogP2.81
Rot. Bonds5

About 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide

4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 40912142) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID40912142
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-13-1-7-16(8-2-13)25(23,24)20-10-12-9-17(22)21(11-12)15-5-3-14(19)4-6-15/h1-8,12,20H,9-11H2/t12-/m1/s1
InChIKeyICXNIBNULDBTRM-GFCCVEGCSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
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
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-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919638
4-chloro-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912617
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16919707

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide (CID 40912142) is 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide is O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is ICXNIBNULDBTRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-13-1-7-16(8-2-13)25(23,24)20-10-12-9-17(22)21(11-12)15-5-3-14(19)4-6-15/h1-8,12,20H,9-11H2/t12-/m1/s1.
What are the key properties of 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 382.84 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40912142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).