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

C17H14ClNO2S — CID 21235101

IUPAC1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C17H14ClNO2S/c1-11-6-8-12(9-7-11)22-15-10-16(20)19(17(15)21)14-5-3-2-4-13(14)18/h2-9,15H,10H2,1H3
InChIKeySFHAGNZPJLYADN-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.07
Rot. Bonds3

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

1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 21235101) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID21235101
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C17H14ClNO2S/c1-11-6-8-12(9-7-11)22-15-10-16(20)19(17(15)21)14-5-3-2-4-13(14)18/h2-9,15H,10H2,1H3
InChIKeySFHAGNZPJLYADN-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.07
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)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1278127
2-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 981496
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
3-(4-aminophenyl)sulfanyl-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 53269701
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
3-(4-aminophenyl)sulfanyl-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 19059586
(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 1167706
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
(3R)-3-(3-aminophenyl)sulfanyl-1-(2,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 99129758
(3S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1311200
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (CID 21235101) is 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is Cc1ccc(SC2CC(=O)N(c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is SFHAGNZPJLYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-11-6-8-12(9-7-11)22-15-10-16(20)19(17(15)21)14-5-3-2-4-13(14)18/h2-9,15H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 331.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 21235101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).