(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione

C16H12Cl2N2O2S — CID 99129758

IUPAC(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESNc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1
InChIInChI=1S/C16H12Cl2N2O2S/c17-9-4-5-12(18)13(6-9)20-15(21)8-14(16(20)22)23-11-3-1-2-10(19)7-11/h1-7,14H,8,19H2/t14-/m1/s1
InChIKeyBOSQVFSGYXLWAQ-CQSZACIVSA-N
MW367.26 g/mol
LogP4.00
Rot. Bonds3

About (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione

(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 99129758) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID99129758
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC Name(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESNc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1
InChIInChI=1S/C16H12Cl2N2O2S/c17-9-4-5-12(18)13(6-9)20-15(21)8-14(16(20)22)23-11-3-1-2-10(19)7-11/h1-7,14H,8,19H2/t14-/m1/s1
InChIKeyBOSQVFSGYXLWAQ-CQSZACIVSA-N
XLogP4.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 98470656
3-(3-aminophenyl)sulfanyl-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 18894148
(3S)-3-(3-aminophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98470653
4-[3-(3-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzonitrile
CID 19057450
3-(3-aminophenyl)sulfanyl-1-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl]pyrrolidine-2,5-dione
CID 18894069
3-(4-aminophenyl)sulfanyl-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 53269701
3-(3-aminophenyl)sulfanyl-2,5-dioxopyrrolidine-1-carboxamide
CID 71670433
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 99129583
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 21235101
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
1-(4-bromo-2,5-difluorophenyl)-3-(4-chlorophenyl)sulfanylpyrrolidine-2,5-dione
CID 2809197
N-[(Z)-3-[3-[(3R)-1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylanilino]-1-(2,3-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 99679778

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione (CID 99129758) is (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione is Nc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1.
What is the InChIKey of (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is BOSQVFSGYXLWAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-9-4-5-12(18)13(6-9)20-15(21)8-14(16(20)22)23-11-3-1-2-10(19)7-11/h1-7,14H,8,19H2/t14-/m1/s1.
What are the key properties of (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 367.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 99129758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).