3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide

C12H10ClFN2O2S — CID 63581391

IUPAC3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-9-5-8(1-2-10(9)14)19-6-7-3-4-18-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyIRDXOUGDOOUJHT-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.97
Rot. Bonds4

About 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide

3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63581391) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63581391
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-9-5-8(1-2-10(9)14)19-6-7-3-4-18-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyIRDXOUGDOOUJHT-UHFFFAOYSA-N
XLogP2.97
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43244556
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
3-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581352
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55215048
3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 79142522
3-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581739
4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63581953
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzoic acid
CID 43415527
methyl 2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzoate
CID 82976123
3-[(4-amino-3-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 79148353

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide (CID 63581391) is 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1occc1CSc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is IRDXOUGDOOUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-9-5-8(1-2-10(9)14)19-6-7-3-4-18-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 300.74 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63581391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).