N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H11F2N5OS — CID 705223

IUPACN-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2N5OS/c16-11-7-4-8-12(17)14(11)18-13(23)9-24-15-19-20-21-22(15)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,23)
InChIKeyJNXBWOFEIMJSBM-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.67
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 705223) has the molecular formula C15H11F2N5OS and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID705223
Molecular FormulaC15H11F2N5OS
Molecular Weight347.35 g/mol
Exact Mass347.07
IUPAC NameN-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2N5OS/c16-11-7-4-8-12(17)14(11)18-13(23)9-24-15-19-20-21-22(15)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,23)
InChIKeyJNXBWOFEIMJSBM-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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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2610379
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
N-(2-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2714902
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
potassium 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 44889777
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 705223) is N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JNXBWOFEIMJSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5OS/c16-11-7-4-8-12(17)14(11)18-13(23)9-24-15-19-20-21-22(15)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,23).
What are the key properties of N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-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-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 705223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).