1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole

C17H17ClN4O2S — CID 1252820

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
SMILESCOc1cc(-n2nnnc2SCCc2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C17H17ClN4O2S/c1-23-15-11-14(16(24-2)10-13(15)18)22-17(19-20-21-22)25-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyFSLZBAZKYBWVCY-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole

1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole (PubChem CID 1252820) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
PubChem CID1252820
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
SMILESCOc1cc(-n2nnnc2SCCc2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C17H17ClN4O2S/c1-23-15-11-14(16(24-2)10-13(15)18)22-17(19-20-21-22)25-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyFSLZBAZKYBWVCY-UHFFFAOYSA-N
XLogP3.67
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole (CID 1252820) is 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole is COc1cc(-n2nnnc2SCCc2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole?
The InChIKey is FSLZBAZKYBWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-23-15-11-14(16(24-2)10-13(15)18)22-17(19-20-21-22)25-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole?
1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole has a molecular weight of 376.87 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole is sourced from PubChem (CID 1252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).