2,6-difluoro-N'-phenylsulfanylbenzohydrazide

C13H10F2N2OS — CID 142366791

IUPAC2,6-difluoro-N'-phenylsulfanylbenzohydrazide
SMILESO=C(NNSc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C13H10F2N2OS/c14-10-7-4-8-11(15)12(10)13(18)16-17-19-9-5-2-1-3-6-9/h1-8,17H,(H,16,18)
InChIKeyYWIWLBZRQIJZGU-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.91
Rot. Bonds4

About 2,6-difluoro-N'-phenylsulfanylbenzohydrazide

2,6-difluoro-N'-phenylsulfanylbenzohydrazide (PubChem CID 142366791) has the molecular formula C13H10F2N2OS and a molecular weight of 280.30 g/mol. Its IUPAC name is 2,6-difluoro-N'-phenylsulfanylbenzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-phenylsulfanylbenzohydrazide
PubChem CID142366791
Molecular FormulaC13H10F2N2OS
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2,6-difluoro-N'-phenylsulfanylbenzohydrazide
SMILESO=C(NNSc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C13H10F2N2OS/c14-10-7-4-8-11(15)12(10)13(18)16-17-19-9-5-2-1-3-6-9/h1-8,17H,(H,16,18)
InChIKeyYWIWLBZRQIJZGU-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide
CID 142366561
2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide
CID 142366220
(2,6-difluorobenzoyl)carbamic acid;hydrochloride
CID 70544596
N-acetyl-2,6-difluorobenzamide
CID 2805165
[(2,6-difluorobenzoyl)amino]thiourea
CID 65217088
2-fluoro-6-phenylsulfanylbenzoic acid
CID 75356227
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
CID 36702536
3-ethoxy-N'-phenylsulfanylbenzohydrazide
CID 155393059
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-phenylsulfanylbenzohydrazide?
The IUPAC name of 2,6-difluoro-N'-phenylsulfanylbenzohydrazide (CID 142366791) is 2,6-difluoro-N'-phenylsulfanylbenzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-phenylsulfanylbenzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-phenylsulfanylbenzohydrazide is O=C(NNSc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N'-phenylsulfanylbenzohydrazide?
The InChIKey is YWIWLBZRQIJZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2OS/c14-10-7-4-8-11(15)12(10)13(18)16-17-19-9-5-2-1-3-6-9/h1-8,17H,(H,16,18).
What are the key properties of 2,6-difluoro-N'-phenylsulfanylbenzohydrazide?
2,6-difluoro-N'-phenylsulfanylbenzohydrazide has a molecular weight of 280.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-phenylsulfanylbenzohydrazide is sourced from PubChem (CID 142366791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).