3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide

C15H10F7N5O2S — CID 135357709

IUPAC3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H10F7N5O2S/c16-12-5-9(15(28)24-29)6-13(17)11(12)7-27-14(23-25-26-27)8-2-1-3-10(4-8)30(18,19,20,21)22/h1-6,29H,7H2,(H,24,28)
InChIKeyCHTFDUHTFXFYPY-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.44
Rot. Bonds5

About 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide

3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide (PubChem CID 135357709) 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-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
PubChem CID135357709
Molecular FormulaC15H10F7N5O2S
Molecular Weight457.33 g/mol
Exact Mass457.04
IUPAC Name3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H10F7N5O2S/c16-12-5-9(15(28)24-29)6-13(17)11(12)7-27-14(23-25-26-27)8-2-1-3-10(4-8)30(18,19,20,21)22/h1-6,29H,7H2,(H,24,28)
InChIKeyCHTFDUHTFXFYPY-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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Related Compounds

CID 135357843
CID 135357843
CID 135357552
CID 135357552
CID 135357784
CID 135357784
CID 135357870
CID 135357870
CID 135358300
CID 135358300
CID 171344502
CID 171344502
CID 171344621
CID 171344621
CID 171356767
CID 171356767
CID 135357403
CID 135357403
CID 135357483
CID 135357483
CID 135357623
CID 135357623
CID 135357804
CID 135357804

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide (CID 135357709) is 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
The InChIKey is CHTFDUHTFXFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F7N5O2S/c16-12-5-9(15(28)24-29)6-13(17)11(12)7-27-14(23-25-26-27)8-2-1-3-10(4-8)30(18,19,20,21)22/h1-6,29H,7H2,(H,24,28).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-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-1-yl]methyl]benzamide is sourced from PubChem (CID 135357709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).