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

C17H11Cl2N5O2S — CID 2926712

IUPAC1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N5O2S/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
InChIKeyHKFDDQCQGSIBTN-UHFFFAOYSA-N
MW420.28 g/mol
LogP3.39
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2926712) has the molecular formula C17H11Cl2N5O2S and a molecular weight of 420.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2926712
Molecular FormulaC17H11Cl2N5O2S
Molecular Weight420.28 g/mol
Exact Mass419.00
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N5O2S/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
InChIKeyHKFDDQCQGSIBTN-UHFFFAOYSA-N
XLogP3.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-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-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950397
N-(4-chlorophenyl)-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 2997817
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-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1026896
N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 992154
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11567834
3-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(4-fluorophenyl)propanamide
CID 16648445
N-(3,4-dichlorophenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2892330
N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2238769
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CID 2926712) is 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is HKFDDQCQGSIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O2S/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-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 420.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2926712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).