(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione

C17H13Cl2NO2S — CID 1278127

IUPAC(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H13Cl2NO2S/c1-10-2-4-14(5-3-10)23-15-9-16(21)20(17(15)22)13-7-11(18)6-12(19)8-13/h2-8,15H,9H2,1H3/t15-/m0/s1
InChIKeyNTSCLTBGDRNNOH-HNNXBMFYSA-N
MW366.27 g/mol
LogP4.73
Rot. Bonds3

About (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione

(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 1278127) has the molecular formula C17H13Cl2NO2S and a molecular weight of 366.27 g/mol. Its IUPAC name is (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID1278127
Molecular FormulaC17H13Cl2NO2S
Molecular Weight366.27 g/mol
Exact Mass365.00
IUPAC Name(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H13Cl2NO2S/c1-10-2-4-14(5-3-10)23-15-9-16(21)20(17(15)22)13-7-11(18)6-12(19)8-13/h2-8,15H,9H2,1H3/t15-/m0/s1
InChIKeyNTSCLTBGDRNNOH-HNNXBMFYSA-N
XLogP4.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1206931
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 53269691
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 21235101
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
(3S)-3-(2-aminophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 6977488
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 53269707
(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7104101
(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
CID 2036009

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (CID 1278127) is (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is Cc1ccc(S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1.
What is the InChIKey of (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is NTSCLTBGDRNNOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S/c1-10-2-4-14(5-3-10)23-15-9-16(21)20(17(15)22)13-7-11(18)6-12(19)8-13/h2-8,15H,9H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 366.27 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 1278127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).