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

C16H13ClN2O2S — CID 98470656

IUPAC(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESNc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C16H13ClN2O2S/c17-10-4-6-12(7-5-10)19-15(20)9-14(16(19)21)22-13-3-1-2-11(18)8-13/h1-8,14H,9,18H2/t14-/m1/s1
InChIKeyNDBBGWUNQVCWTG-CQSZACIVSA-N
MW332.81 g/mol
LogP3.35
Rot. Bonds3

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

(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 98470656) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID98470656
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESNc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C16H13ClN2O2S/c17-10-4-6-12(7-5-10)19-15(20)9-14(16(19)21)22-13-3-1-2-11(18)8-13/h1-8,14H,9,18H2/t14-/m1/s1
InChIKeyNDBBGWUNQVCWTG-CQSZACIVSA-N
XLogP3.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.35
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-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 99129758
(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-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
3-(3-aminophenyl)sulfanyl-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 18894148
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 99129583
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
3-(3-aminophenyl)sulfanyl-1-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]pyrrolidine-2,5-dione
CID 18894096
[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-[3-(3-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 18894024
[2-(4-bromophenyl)-2-oxoethyl] 4-[(3S)-3-(3-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 99129376

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione (CID 98470656) is (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione is Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is NDBBGWUNQVCWTG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-10-4-6-12(7-5-10)19-15(20)9-14(16(19)21)22-13-3-1-2-11(18)8-13/h1-8,14H,9,18H2/t14-/m1/s1.
What are the key properties of (3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 332.81 g/mol, XLogP of 3.35, 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-(4-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98470656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).