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

C17H12ClN5O2S — CID 2950397

IUPAC1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN5O2S/c18-11-5-4-8-13(9-11)22-15(24)10-14(16(22)25)26-17-19-20-21-23(17)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyGCLCRIOQVGXDQE-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.74
Rot. Bonds4

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

1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2950397) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2950397
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC Name1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN5O2S/c18-11-5-4-8-13(9-11)22-15(24)10-14(16(22)25)26-17-19-20-21-23(17)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyGCLCRIOQVGXDQE-UHFFFAOYSA-N
XLogP2.74
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(4-chlorophenyl)-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 2997817
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
2-{[1-(3-chlorophenyl)-1H-tetraazol-5-yl]thio}acetamide
CID 833722
2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 3228990
1-(3,5-Dichlorophenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 118734157
1-(3-Chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
CID 4018822
N-(3-chloro-4-fluorophenyl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 1187967
2-{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
CID 3417194
N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1026896

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CID 2950397) is 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is GCLCRIOQVGXDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-11-5-4-8-13(9-11)22-15(24)10-14(16(22)25)26-17-19-20-21-23(17)12-6-2-1-3-7-12/h1-9,14H,10H2.
What are the key properties of 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 385.84 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2950397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).