4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide

C17H16ClN3O4S — CID 1118623

IUPAC4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H16ClN3O4S/c18-12-2-1-3-13(8-12)21-16(22)9-15(17(21)23)20-10-11-4-6-14(7-5-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/t15-/m1/s1
InChIKeyAFMUXGSLZYOWQU-OAHLLOKOSA-N
MW393.85 g/mol
LogP1.41
Rot. Bonds5

About 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide

4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide (PubChem CID 1118623) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
PubChem CID1118623
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H16ClN3O4S/c18-12-2-1-3-13(8-12)21-16(22)9-15(17(21)23)20-10-11-4-6-14(7-5-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/t15-/m1/s1
InChIKeyAFMUXGSLZYOWQU-OAHLLOKOSA-N
XLogP1.41
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792662
(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792666
4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1418366
4-[2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1090820
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1420538
ethyl 4-[(3R)-2,5-dioxo-3-[(4-sulfamoylphenyl)methylamino]pyrrolidin-1-yl]benzoate
CID 2230774
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]amino]-4-oxobutanoic acid
CID 5076731
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 894163
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide (CID 1118623) is 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The InChIKey is AFMUXGSLZYOWQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-12-2-1-3-13(8-12)21-16(22)9-15(17(21)23)20-10-11-4-6-14(7-5-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/t15-/m1/s1.
What are the key properties of 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide has a molecular weight of 393.85 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 1118623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).