N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H11F2N5OS — CID 859399

IUPACN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccccc1F
InChIInChI=1S/C15H11F2N5OS/c16-10-5-7-11(8-6-10)22-15(19-20-21-22)24-9-14(23)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23)
InChIKeyMMEJYEIDLPRKSM-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.67
Rot. Bonds5

About N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859399) has the molecular formula C15H11F2N5OS and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859399
Molecular FormulaC15H11F2N5OS
Molecular Weight347.35 g/mol
Exact Mass347.07
IUPAC NameN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccccc1F
InChIInChI=1S/C15H11F2N5OS/c16-10-5-7-11(8-6-10)22-15(19-20-21-22)24-9-14(23)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23)
InChIKeyMMEJYEIDLPRKSM-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 859399) is N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is MMEJYEIDLPRKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5OS/c16-10-5-7-11(8-6-10)22-15(19-20-21-22)24-9-14(23)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23).
What are the key properties of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 347.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).