3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide

C15H10F7N5O2S — CID 135357623

IUPAC3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3cccc(S(F)(F)(F)(F)F)c3)n2)c(F)c1
InChIInChI=1S/C15H10F7N5O2S/c16-12-5-9(15(28)25-29)6-13(17)11(12)7-27-24-14(23-26-27)8-2-1-3-10(4-8)30(18,19,20,21)22/h1-6,29H,7H2,(H,25,28)
InChIKeyLUUCPQYOTUFOCI-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.44
Rot. Bonds5

About 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide

3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide (PubChem CID 135357623) has the molecular formula C15H10F7N5O2S and a molecular weight of 457.33 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide
PubChem CID135357623
Molecular FormulaC15H10F7N5O2S
Molecular Weight457.33 g/mol
Exact Mass457.04
IUPAC Name3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3cccc(S(F)(F)(F)(F)F)c3)n2)c(F)c1
InChIInChI=1S/C15H10F7N5O2S/c16-12-5-9(15(28)25-29)6-13(17)11(12)7-27-24-14(23-26-27)8-2-1-3-10(4-8)30(18,19,20,21)22/h1-6,29H,7H2,(H,25,28)
InChIKeyLUUCPQYOTUFOCI-UHFFFAOYSA-N
XLogP4.44
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide (CID 135357623) is 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnc(-c3cccc(S(F)(F)(F)(F)F)c3)n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide?
The InChIKey is LUUCPQYOTUFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F7N5O2S/c16-12-5-9(15(28)25-29)6-13(17)11(12)7-27-24-14(23-26-27)8-2-1-3-10(4-8)30(18,19,20,21)22/h1-6,29H,7H2,(H,25,28).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide has a molecular weight of 457.33 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide is sourced from PubChem (CID 135357623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).