(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione

C16H11ClN2O4S — CID 7104101

IUPAC(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11ClN2O4S/c17-10-1-7-13(8-2-10)24-14-9-15(20)18(16(14)21)11-3-5-12(6-4-11)19(22)23/h1-8,14H,9H2/t14-/m1/s1
InChIKeyMJJZUWHRZHPHST-CQSZACIVSA-N
MW362.79 g/mol
LogP3.67
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione

(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 7104101) has the molecular formula C16H11ClN2O4S and a molecular weight of 362.79 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID7104101
Molecular FormulaC16H11ClN2O4S
Molecular Weight362.79 g/mol
Exact Mass362.01
IUPAC Name(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11ClN2O4S/c17-10-1-7-13(8-2-10)24-14-9-15(20)18(16(14)21)11-3-5-12(6-4-11)19(22)23/h1-8,14H,9H2/t14-/m1/s1
InChIKeyMJJZUWHRZHPHST-CQSZACIVSA-N
XLogP3.67
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione 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-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
3-(2-aminoethylsulfanyl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 43827047
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
1-(4-chlorophenyl)-3-[[5-(2-hydroxy-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyrrolidine-2,5-dione
CID 135829837
2-[(3R)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate
CID 7116153
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 98470656
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
2-(4-chlorophenyl)-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]acetamide
CID 23098457
(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1278127
(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1206931

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione (CID 7104101) is (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is MJJZUWHRZHPHST-CQSZACIVSA-N. The full InChI is InChI=1S/C16H11ClN2O4S/c17-10-1-7-13(8-2-10)24-14-9-15(20)18(16(14)21)11-3-5-12(6-4-11)19(22)23/h1-8,14H,9H2/t14-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 362.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7104101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).