N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide

C13H10F2N2O3S — CID 9366989

IUPACN'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1cc(F)ccc1F)NNC(=O)c1ccco1
InChIInChI=1S/C13H10F2N2O3S/c14-8-3-4-9(15)11(6-8)21-7-12(18)16-17-13(19)10-2-1-5-20-10/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyYOPGZEULSTXHLY-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.11
Rot. Bonds4

About N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 9366989) has the molecular formula C13H10F2N2O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID9366989
Molecular FormulaC13H10F2N2O3S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1cc(F)ccc1F)NNC(=O)c1ccco1
InChIInChI=1S/C13H10F2N2O3S/c14-8-3-4-9(15)11(6-8)21-7-12(18)16-17-13(19)10-2-1-5-20-10/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyYOPGZEULSTXHLY-UHFFFAOYSA-N
XLogP2.11
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.11
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'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide (CID 9366989) is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide is O=C(CSc1cc(F)ccc1F)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is YOPGZEULSTXHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3S/c14-8-3-4-9(15)11(6-8)21-7-12(18)16-17-13(19)10-2-1-5-20-10/h1-6H,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 312.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 9366989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).