(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

C16H10BrCl2NO2S — CID 1206931

IUPAC(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H10BrCl2NO2S/c17-9-1-3-13(4-2-9)23-14-8-15(21)20(16(14)22)12-6-10(18)5-11(19)7-12/h1-7,14H,8H2/t14-/m0/s1
InChIKeyOSFYLSHUWZASFG-AWEZNQCLSA-N
MW431.14 g/mol
LogP5.18
Rot. Bonds3

About (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 1206931) has the molecular formula C16H10BrCl2NO2S and a molecular weight of 431.14 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID1206931
Molecular FormulaC16H10BrCl2NO2S
Molecular Weight431.14 g/mol
Exact Mass428.90
IUPAC Name(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H10BrCl2NO2S/c17-9-1-3-13(4-2-9)23-14-8-15(21)20(16(14)22)12-6-10(18)5-11(19)7-12/h1-7,14H,8H2/t14-/m0/s1
InChIKeyOSFYLSHUWZASFG-AWEZNQCLSA-N
XLogP5.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.14
LogP ≤ 55.18
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-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1278127
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
N-(4-bromophenyl)-2-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2853313
N-(4-bromophenyl)-2-[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1369630
(3S)-3-(2-aminophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 6977488
(3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1224030
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
1-(4-bromo-2,5-difluorophenyl)-3-(4-chlorophenyl)sulfanylpyrrolidine-2,5-dione
CID 2809197
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 53269691
(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7104101

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (CID 1206931) is (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is OSFYLSHUWZASFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H10BrCl2NO2S/c17-9-1-3-13(4-2-9)23-14-8-15(21)20(16(14)22)12-6-10(18)5-11(19)7-12/h1-7,14H,8H2/t14-/m0/s1.
What are the key properties of (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
(3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 431.14 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1206931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).