[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium

C17H17ClN3O4S+ — CID 6968725

IUPAC[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
SMILESNS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C17H16ClN3O4S/c18-12-3-5-13(6-4-12)21-16(22)9-15(17(21)23)20-10-11-1-7-14(8-2-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/p+1/t15-/m0/s1
InChIKeyHQIKUICLVWLNAV-HNNXBMFYSA-O
MW394.86 g/mol
LogP0.38
Rot. Bonds5

About [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium

[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium (PubChem CID 6968725) has the molecular formula C17H17ClN3O4S+ and a molecular weight of 394.86 g/mol. Its IUPAC name is [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
PubChem CID6968725
Molecular FormulaC17H17ClN3O4S+
Molecular Weight394.86 g/mol
Exact Mass394.06
IUPAC Name[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
SMILESNS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C17H16ClN3O4S/c18-12-3-5-13(6-4-12)21-16(22)9-15(17(21)23)20-10-11-1-7-14(8-2-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/p+1/t15-/m0/s1
InChIKeyHQIKUICLVWLNAV-HNNXBMFYSA-O
XLogP0.38
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968722
[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6960635
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7317627
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4746469
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
4-[3-[benzyl-(4-chlorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25038329
4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide
CID 25048801
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
CID 3302744
[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4073531
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The IUPAC name of [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium (CID 6968725) is [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium.
What is the SMILES notation for [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The canonical SMILES for [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium is NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The InChIKey is HQIKUICLVWLNAV-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H16ClN3O4S/c18-12-3-5-13(6-4-12)21-16(22)9-15(17(21)23)20-10-11-1-7-14(8-2-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/p+1/t15-/m0/s1.
What are the key properties of [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium has a molecular weight of 394.86 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium is sourced from PubChem (CID 6968725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).