2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide

C17H14Cl3N5O3S — CID 2209011

IUPAC2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide
SMILESCOc1cc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2Cl)c(OC)cc1Cl
InChIInChI=1S/C17H14Cl3N5O3S/c1-27-13-7-12(14(28-2)6-10(13)19)25-17(22-23-24-25)29-8-15(26)21-11-5-3-4-9(18)16(11)20/h3-7H,8H2,1-2H3,(H,21,26)
InChIKeyPIZDNIDMERGVEK-UHFFFAOYSA-N
MW474.76 g/mol
LogP4.37
Rot. Bonds7

About 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide

2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide (PubChem CID 2209011) has the molecular formula C17H14Cl3N5O3S and a molecular weight of 474.76 g/mol. Its IUPAC name is 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide
PubChem CID2209011
Molecular FormulaC17H14Cl3N5O3S
Molecular Weight474.76 g/mol
Exact Mass472.99
IUPAC Name2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide
SMILESCOc1cc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2Cl)c(OC)cc1Cl
InChIInChI=1S/C17H14Cl3N5O3S/c1-27-13-7-12(14(28-2)6-10(13)19)25-17(22-23-24-25)29-8-15(26)21-11-5-3-4-9(18)16(11)20/h3-7H,8H2,1-2H3,(H,21,26)
InChIKeyPIZDNIDMERGVEK-UHFFFAOYSA-N
XLogP4.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide (CID 2209011) is 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide is COc1cc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2Cl)c(OC)cc1Cl.
What is the InChIKey of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is PIZDNIDMERGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N5O3S/c1-27-13-7-12(14(28-2)6-10(13)19)25-17(22-23-24-25)29-8-15(26)21-11-5-3-4-9(18)16(11)20/h3-7H,8H2,1-2H3,(H,21,26).
What are the key properties of 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide?
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 474.76 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 2209011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).