2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

C17H15FN6O3S — CID 7863752

IUPAC2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H15FN6O3S/c1-27-12-8-6-11(7-9-12)24-17(21-22-23-24)28-10-15(25)19-20-16(26)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyFKXHWZXUKPVACA-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.36
Rot. Bonds6

About 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (PubChem CID 7863752) has the molecular formula C17H15FN6O3S and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
PubChem CID7863752
Molecular FormulaC17H15FN6O3S
Molecular Weight402.41 g/mol
Exact Mass402.09
IUPAC Name2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H15FN6O3S/c1-27-12-8-6-11(7-9-12)24-17(21-22-23-24)28-10-15(25)19-20-16(26)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyFKXHWZXUKPVACA-UHFFFAOYSA-N
XLogP1.36
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (CID 7863752) is 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The InChIKey is FKXHWZXUKPVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O3S/c1-27-12-8-6-11(7-9-12)24-17(21-22-23-24)28-10-15(25)19-20-16(26)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26).
What are the key properties of 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide has a molecular weight of 402.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 7863752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).