3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione

C19H15ClFNO2S — CID 110570416

IUPAC3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
SMILESCC(C)SC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15ClFNO2S/c1-11(2)25-17-16(12-3-5-13(20)6-4-12)18(23)22(19(17)24)15-9-7-14(21)8-10-15/h3-11H,1-2H3
InChIKeyPMOIYTHTHSWQQN-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.91
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione

3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione (PubChem CID 110570416) has the molecular formula C19H15ClFNO2S and a molecular weight of 375.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
PubChem CID110570416
Molecular FormulaC19H15ClFNO2S
Molecular Weight375.85 g/mol
Exact Mass375.05
IUPAC Name3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
SMILESCC(C)SC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15ClFNO2S/c1-11(2)25-17-16(12-3-5-13(20)6-4-12)18(23)22(19(17)24)15-9-7-14(21)8-10-15/h3-11H,1-2H3
InChIKeyPMOIYTHTHSWQQN-UHFFFAOYSA-N
XLogP4.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.91
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

3-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110571272
4-[3-(4-fluorophenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-1-yl]benzenesulfonamide
CID 110545273
1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110545694
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110544850
1-(4-chlorophenyl)-3-propan-2-ylsulfanyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577522
3-benzylsulfanyl-4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110570418
3-benzylsulfanyl-1-(4-chlorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545229
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110545783
1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110575871
1-(2,5-difluorophenyl)-3-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110550906
1,3-bis(4-chlorophenyl)-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110570858
N-[4-[1-(4-methylphenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-3-yl]phenyl]acetamide
CID 110563563

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione (CID 110570416) is 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione is CC(C)SC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione?
The InChIKey is PMOIYTHTHSWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2S/c1-11(2)25-17-16(12-3-5-13(20)6-4-12)18(23)22(19(17)24)15-9-7-14(21)8-10-15/h3-11H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione?
3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione has a molecular weight of 375.85 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110570416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).