3-fluoro-N'-sulfanylbenzohydrazide

C7H7FN2OS — CID 174650395

IUPAC3-fluoro-N'-sulfanylbenzohydrazide
SMILESO=C(NNS)c1cccc(F)c1
InChIInChI=1S/C7H7FN2OS/c8-6-3-1-2-5(4-6)7(11)9-10-12/h1-4,10,12H,(H,9,11)
InChIKeyZVDLEYYFABRIHA-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.90
Rot. Bonds2

About 3-fluoro-N'-sulfanylbenzohydrazide

3-fluoro-N'-sulfanylbenzohydrazide (PubChem CID 174650395) has the molecular formula C7H7FN2OS and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-fluoro-N'-sulfanylbenzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-sulfanylbenzohydrazide
PubChem CID174650395
Molecular FormulaC7H7FN2OS
Molecular Weight186.21 g/mol
Exact Mass186.03
IUPAC Name3-fluoro-N'-sulfanylbenzohydrazide
SMILESO=C(NNS)c1cccc(F)c1
InChIInChI=1S/C7H7FN2OS/c8-6-3-1-2-5(4-6)7(11)9-10-12/h1-4,10,12H,(H,9,11)
InChIKeyZVDLEYYFABRIHA-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-hydroxybenzamide
CID 5082377
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
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N'-butyl-3-fluorobenzohydrazide
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3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
1-tert-butyl-3-[(3-fluorobenzoyl)amino]thiourea
CID 26286150
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
3-fluorobenzoyl bromide
CID 20822510
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
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methyl 3-fluorobenzoate
CID 521184

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-sulfanylbenzohydrazide?
The IUPAC name of 3-fluoro-N'-sulfanylbenzohydrazide (CID 174650395) is 3-fluoro-N'-sulfanylbenzohydrazide.
What is the SMILES notation for 3-fluoro-N'-sulfanylbenzohydrazide?
The canonical SMILES for 3-fluoro-N'-sulfanylbenzohydrazide is O=C(NNS)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N'-sulfanylbenzohydrazide?
The InChIKey is ZVDLEYYFABRIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2OS/c8-6-3-1-2-5(4-6)7(11)9-10-12/h1-4,10,12H,(H,9,11).
What are the key properties of 3-fluoro-N'-sulfanylbenzohydrazide?
3-fluoro-N'-sulfanylbenzohydrazide has a molecular weight of 186.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-sulfanylbenzohydrazide is sourced from PubChem (CID 174650395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).