2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide

C16H13Cl2N5OS — CID 5275183

IUPAC2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N5OS/c1-10-6-7-14(12(18)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,19,24)
InChIKeyOAVCJJKGYHSXNC-UHFFFAOYSA-N
MW394.29 g/mol
LogP4.01
Rot. Bonds5

About 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide

2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide (PubChem CID 5275183) has the molecular formula C16H13Cl2N5OS and a molecular weight of 394.29 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
PubChem CID5275183
Molecular FormulaC16H13Cl2N5OS
Molecular Weight394.29 g/mol
Exact Mass393.02
IUPAC Name2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N5OS/c1-10-6-7-14(12(18)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,19,24)
InChIKeyOAVCJJKGYHSXNC-UHFFFAOYSA-N
XLogP4.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide (CID 5275183) is 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The InChIKey is OAVCJJKGYHSXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5OS/c1-10-6-7-14(12(18)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide has a molecular weight of 394.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 5275183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).