N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide

C16H14N4O2S — CID 135567459

IUPACN-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
SMILESO=C(NO)c1cccc(-c2cn(CSc3ccccc3)nn2)c1
InChIInChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
InChIKeyDORPIZJGSLWDIY-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.81
Rot. Bonds5

About N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide

N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide (PubChem CID 135567459) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
PubChem CID135567459
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
SMILESO=C(NO)c1cccc(-c2cn(CSc3ccccc3)nn2)c1
InChIInChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
InChIKeyDORPIZJGSLWDIY-UHFFFAOYSA-N
XLogP2.81
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.81
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-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide?
The IUPAC name of N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide (CID 135567459) is N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide.
What is the SMILES notation for N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide?
The canonical SMILES for N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide is O=C(NO)c1cccc(-c2cn(CSc3ccccc3)nn2)c1.
What is the InChIKey of N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide?
The InChIKey is DORPIZJGSLWDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21).
What are the key properties of N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide?
N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide has a molecular weight of 326.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide is sourced from PubChem (CID 135567459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).