N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide

C14H12F2N2O3S — CID 9367168

IUPACN'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide
SMILESO=C(CCSc1ccc(F)c(F)c1)NNC(=O)c1ccco1
InChIInChI=1S/C14H12F2N2O3S/c15-10-4-3-9(8-11(10)16)22-7-5-13(19)17-18-14(20)12-2-1-6-21-12/h1-4,6,8H,5,7H2,(H,17,19)(H,18,20)
InChIKeyPJVUJFCRSCHPCV-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.50
Rot. Bonds5

About N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide

N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide (PubChem CID 9367168) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide
PubChem CID9367168
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC NameN'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide
SMILESO=C(CCSc1ccc(F)c(F)c1)NNC(=O)c1ccco1
InChIInChI=1S/C14H12F2N2O3S/c15-10-4-3-9(8-11(10)16)22-7-5-13(19)17-18-14(20)12-2-1-6-21-12/h1-4,6,8H,5,7H2,(H,17,19)(H,18,20)
InChIKeyPJVUJFCRSCHPCV-UHFFFAOYSA-N
XLogP2.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide (CID 9367168) is N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide is O=C(CCSc1ccc(F)c(F)c1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide?
The InChIKey is PJVUJFCRSCHPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c15-10-4-3-9(8-11(10)16)22-7-5-13(19)17-18-14(20)12-2-1-6-21-12/h1-4,6,8H,5,7H2,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide?
N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide has a molecular weight of 326.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9367168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).