(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione

C15H10Cl2N2O2S — CID 1167706

IUPAC(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](Sc2ccccn2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N2O2S/c16-9-4-3-5-10(14(9)17)19-13(20)8-11(15(19)21)22-12-6-1-2-7-18-12/h1-7,11H,8H2/t11-/m0/s1
InChIKeyPKSMVUKHFWNIGK-NSHDSACASA-N
MW353.23 g/mol
LogP3.81
Rot. Bonds3

About (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione

(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 1167706) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID1167706
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](Sc2ccccn2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N2O2S/c16-9-4-3-5-10(14(9)17)19-13(20)8-11(15(19)21)22-12-6-1-2-7-18-12/h1-7,11H,8H2/t11-/m0/s1
InChIKeyPKSMVUKHFWNIGK-NSHDSACASA-N
XLogP3.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 702871
2-[(3S)-1-(2,3-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 2234320
(3S)-1-(4-bromophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 980659
2-[(3R)-1-(2,3-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate
CID 2234321
1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 17035942
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 21235101
3-[1-(2,3-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 43827024
2-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 981496
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (CID 1167706) is (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is O=C1C[C@H](Sc2ccccn2)C(=O)N1c1cccc(Cl)c1Cl.
What is the InChIKey of (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is PKSMVUKHFWNIGK-NSHDSACASA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-9-4-3-5-10(14(9)17)19-13(20)8-11(15(19)21)22-12-6-1-2-7-18-12/h1-7,11H,8H2/t11-/m0/s1.
What are the key properties of (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 353.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 1167706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).