2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide

C14H13FN2O2S — CID 142366220

IUPAC2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide
SMILESCOc1cccc(SNNC(=O)c2ccccc2F)c1
InChIInChI=1S/C14H13FN2O2S/c1-19-10-5-4-6-11(9-10)20-17-16-14(18)12-7-2-3-8-13(12)15/h2-9,17H,1H3,(H,16,18)
InChIKeyINJLYXUUXYIGNU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.78
Rot. Bonds5

About 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide

2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide (PubChem CID 142366220) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide
PubChem CID142366220
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide
SMILESCOc1cccc(SNNC(=O)c2ccccc2F)c1
InChIInChI=1S/C14H13FN2O2S/c1-19-10-5-4-6-11(9-10)20-17-16-14(18)12-7-2-3-8-13(12)15/h2-9,17H,1H3,(H,16,18)
InChIKeyINJLYXUUXYIGNU-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2,6-difluoro-N'-phenylsulfanylbenzohydrazide
CID 142366791
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
N'-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9084759
N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane
CID 145316912
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788
2-fluoro-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4950483
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
3-ethoxy-N'-phenylsulfanylbenzohydrazide
CID 155393059

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide (CID 142366220) is 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide is COc1cccc(SNNC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide?
The InChIKey is INJLYXUUXYIGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-19-10-5-4-6-11(9-10)20-17-16-14(18)12-7-2-3-8-13(12)15/h2-9,17H,1H3,(H,16,18).
What are the key properties of 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide?
2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide has a molecular weight of 292.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide is sourced from PubChem (CID 142366220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).