N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide

C18H15FN2O3S — CID 155393058

IUPACN'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNSc2ccccc2F)cc(-c2ccco2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-10-12(16-6-4-8-24-16)9-13(11-14)18(22)20-21-25-17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22)
InChIKeyRLTWGRRUAOOBJQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.04
Rot. Bonds6

About N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide

N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide (PubChem CID 155393058) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide
PubChem CID155393058
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNSc2ccccc2F)cc(-c2ccco2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-10-12(16-6-4-8-24-16)9-13(11-14)18(22)20-21-25-17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22)
InChIKeyRLTWGRRUAOOBJQ-UHFFFAOYSA-N
XLogP4.04
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide (CID 155393058) is N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide is COc1cc(C(=O)NNSc2ccccc2F)cc(-c2ccco2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide?
The InChIKey is RLTWGRRUAOOBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-14-10-12(16-6-4-8-24-16)9-13(11-14)18(22)20-21-25-17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22).
What are the key properties of N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide?
N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide has a molecular weight of 358.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide is sourced from PubChem (CID 155393058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).