3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide

C13H9F2N5O2S — CID 135357277

IUPAC3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3cccs3)n2)c(F)c1
InChIInChI=1S/C13H9F2N5O2S/c14-9-4-7(13(21)18-22)5-10(15)8(9)6-20-17-12(16-19-20)11-2-1-3-23-11/h1-5,22H,6H2,(H,18,21)
InChIKeyJWDMKAQBWAPIKN-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.85
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide (PubChem CID 135357277) has the molecular formula C13H9F2N5O2S and a molecular weight of 337.31 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide
PubChem CID135357277
Molecular FormulaC13H9F2N5O2S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3cccs3)n2)c(F)c1
InChIInChI=1S/C13H9F2N5O2S/c14-9-4-7(13(21)18-22)5-10(15)8(9)6-20-17-12(16-19-20)11-2-1-3-23-11/h1-5,22H,6H2,(H,18,21)
InChIKeyJWDMKAQBWAPIKN-UHFFFAOYSA-N
XLogP1.85
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-thiophen-2-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide (CID 135357277) is 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnc(-c3cccs3)n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is JWDMKAQBWAPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2S/c14-9-4-7(13(21)18-22)5-10(15)8(9)6-20-17-12(16-19-20)11-2-1-3-23-11/h1-5,22H,6H2,(H,18,21).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide has a molecular weight of 337.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).