4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide

C17H17ClN2O3S — CID 40911707

IUPAC4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c18-14-6-8-16(9-7-14)24(22,23)19-11-13-10-17(21)20(12-13)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2/t13-/m1/s1
InChIKeyHJYSTUGZPQTFJS-CYBMUJFWSA-N
MW364.85 g/mol
LogP2.67
Rot. Bonds5

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

4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 40911707) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID40911707
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c18-14-6-8-16(9-7-14)24(22,23)19-11-13-10-17(21)20(12-13)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2/t13-/m1/s1
InChIKeyHJYSTUGZPQTFJS-CYBMUJFWSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919756
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40912286
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935929
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110413537
(3R)-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29138872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide (CID 40911707) is 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide is O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CN1c1ccccc1.
What is the InChIKey of 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is HJYSTUGZPQTFJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-6-8-16(9-7-14)24(22,23)19-11-13-10-17(21)20(12-13)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2/t13-/m1/s1.
What are the key properties of 4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.67, 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)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40911707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).