2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide

C15H11ClFN5OS — CID 1303785

IUPAC2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H11ClFN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23)
InChIKeyOMFWUAZMTNPWKB-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide

2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 1303785) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID1303785
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC Name2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H11ClFN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23)
InChIKeyOMFWUAZMTNPWKB-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 1303785) is 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccccc1F.
What is the InChIKey of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is OMFWUAZMTNPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23).
What are the key properties of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 363.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1303785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).