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

C11H11FN6O2S — CID 3662906

IUPAC4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20)
InChIKeyRRDZIGOOKOLDQT-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.10
Rot. Bonds4

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

4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (PubChem CID 3662906) has the molecular formula C11H11FN6O2S and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
PubChem CID3662906
Molecular FormulaC11H11FN6O2S
Molecular Weight310.31 g/mol
Exact Mass310.06
IUPAC Name4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20)
InChIKeyRRDZIGOOKOLDQT-UHFFFAOYSA-N
XLogP-0.10
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (CID 3662906) is 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is Cn1nnnc1SCC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is RRDZIGOOKOLDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20).
What are the key properties of 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 310.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 3662906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).