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

C17H14BrNO2S — CID 1224030

IUPAC(3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1cccc(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1
InChIInChI=1S/C17H14BrNO2S/c1-11-3-2-4-14(9-11)22-15-10-16(20)19(17(15)21)13-7-5-12(18)6-8-13/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyXFERTZLUVAJQIR-HNNXBMFYSA-N
MW376.28 g/mol
LogP4.18
Rot. Bonds3

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

(3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 1224030) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID1224030
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC Name(3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1cccc(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1
InChIInChI=1S/C17H14BrNO2S/c1-11-3-2-4-14(9-11)22-15-10-16(20)19(17(15)21)13-7-5-12(18)6-8-13/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyXFERTZLUVAJQIR-HNNXBMFYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.18
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)-3-(4-bromophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1206931
3-(3-aminophenyl)sulfanyl-1-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]pyrrolidine-2,5-dione
CID 18894096
N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-4-methylbenzamide
CID 23099559
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 98470656
[2-(4-bromophenyl)-2-oxoethyl] 4-[(3S)-3-(3-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 99129376
(3S)-3-(3-aminophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98470653
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3S)-1-(4-bromophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 980659
(3R)-1-(4-bromophenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 94188863
N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-3-methoxybenzamide
CID 23101109
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
(3S)-1-(4-bromophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
CID 124632451

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione (CID 1224030) is (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione is Cc1cccc(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is XFERTZLUVAJQIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c1-11-3-2-4-14(9-11)22-15-10-16(20)19(17(15)21)13-7-5-12(18)6-8-13/h2-9,15H,10H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione?
(3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 376.28 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-3-(3-methylphenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 1224030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).