1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

C17H11F2N5O2S — CID 17035941

IUPAC1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2N5O2S/c18-12-7-6-11(8-13(12)19)23-15(25)9-14(16(23)26)27-17-20-21-22-24(17)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyJRNHQNIYYZOIMW-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.36
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 17035941) has the molecular formula C17H11F2N5O2S and a molecular weight of 387.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID17035941
Molecular FormulaC17H11F2N5O2S
Molecular Weight387.37 g/mol
Exact Mass387.06
IUPAC Name1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2N5O2S/c18-12-7-6-11(8-13(12)19)23-15(25)9-14(16(23)26)27-17-20-21-22-24(17)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyJRNHQNIYYZOIMW-UHFFFAOYSA-N
XLogP2.36
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
1,3-Bis[(1-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 1964780
1-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950397
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
1-(3,5-dimethylphenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2936558
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803
3-[(1-Methyl-5-tetrazolyl)thio]-1-phenylpyrrolidine-2,5-dione
CID 2967948
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3634558
1-[2-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 7801979
Pyrrolidine-2,5-dione, 3-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-1-phenyl-
CID 2973118
1-(4-nitrophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927216

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CID 17035941) is 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is JRNHQNIYYZOIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2S/c18-12-7-6-11(8-13(12)19)23-15(25)9-14(16(23)26)27-17-20-21-22-24(17)10-4-2-1-3-5-10/h1-8,14H,9H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 387.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 17035941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).