2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide

C15H10F3N5OS — CID 1135803

IUPAC2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1F)Nc1ccccc1F
InChIInChI=1S/C15H10F3N5OS/c16-9-5-6-13(11(18)7-9)23-15(20-21-22-23)25-8-14(24)19-12-4-2-1-3-10(12)17/h1-7H,8H2,(H,19,24)
InChIKeyHXRCFBSOOUDDRM-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide

2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 1135803) has the molecular formula C15H10F3N5OS and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID1135803
Molecular FormulaC15H10F3N5OS
Molecular Weight365.34 g/mol
Exact Mass365.06
IUPAC Name2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1F)Nc1ccccc1F
InChIInChI=1S/C15H10F3N5OS/c16-9-5-6-13(11(18)7-9)23-15(20-21-22-23)25-8-14(24)19-12-4-2-1-3-10(12)17/h1-7H,8H2,(H,19,24)
InChIKeyHXRCFBSOOUDDRM-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 1135803) is 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1nnnn1-c1ccc(F)cc1F)Nc1ccccc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is HXRCFBSOOUDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5OS/c16-9-5-6-13(11(18)7-9)23-15(20-21-22-23)25-8-14(24)19-12-4-2-1-3-10(12)17/h1-7H,8H2,(H,19,24).
What are the key properties of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 365.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1135803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).