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

C15H12F5N5O2S — CID 135357804

IUPACN-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F5N5O2S/c16-28(17,18,19,20)13-3-1-2-12(8-13)14-21-23-24-25(14)9-10-4-6-11(7-5-10)15(26)22-27/h1-8,27H,9H2,(H,22,26)
InChIKeyLVRHLTNGMDLGMT-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.16
Rot. Bonds5

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

N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide (PubChem CID 135357804) has the molecular formula C15H12F5N5O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
PubChem CID135357804
Molecular FormulaC15H12F5N5O2S
Molecular Weight421.35 g/mol
Exact Mass421.06
IUPAC NameN-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F5N5O2S/c16-28(17,18,19,20)13-3-1-2-12(8-13)14-21-23-24-25(14)9-10-4-6-11(7-5-10)15(26)22-27/h1-8,27H,9H2,(H,22,26)
InChIKeyLVRHLTNGMDLGMT-UHFFFAOYSA-N
XLogP4.16
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.16
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 N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide (CID 135357804) is N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1.
What is the InChIKey of N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
The InChIKey is LVRHLTNGMDLGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N5O2S/c16-28(17,18,19,20)13-3-1-2-12(8-13)14-21-23-24-25(14)9-10-4-6-11(7-5-10)15(26)22-27/h1-8,27H,9H2,(H,22,26).
What are the key properties of N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide?
N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide has a molecular weight of 421.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-[3-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide is sourced from PubChem (CID 135357804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).