3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide

C11H7Cl3N2OS — CID 2812879

IUPAC3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1c(Cl)cccc1Cl)c1sccc1Cl
InChIInChI=1S/C11H7Cl3N2OS/c12-6-2-1-3-7(13)9(6)15-16-11(17)10-8(14)4-5-18-10/h1-5,15H,(H,16,17)
InChIKeyQTSPCOIMSWKKOW-UHFFFAOYSA-N
MW321.62 g/mol
LogP4.47
Rot. Bonds3

About 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide

3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide (PubChem CID 2812879) has the molecular formula C11H7Cl3N2OS and a molecular weight of 321.62 g/mol. Its IUPAC name is 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide
PubChem CID2812879
Molecular FormulaC11H7Cl3N2OS
Molecular Weight321.62 g/mol
Exact Mass319.93
IUPAC Name3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1c(Cl)cccc1Cl)c1sccc1Cl
InChIInChI=1S/C11H7Cl3N2OS/c12-6-2-1-3-7(13)9(6)15-16-11(17)10-8(14)4-5-18-10/h1-5,15H,(H,16,17)
InChIKeyQTSPCOIMSWKKOW-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide (CID 2812879) is 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide is O=C(NNc1c(Cl)cccc1Cl)c1sccc1Cl.
What is the InChIKey of 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide?
The InChIKey is QTSPCOIMSWKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2OS/c12-6-2-1-3-7(13)9(6)15-16-11(17)10-8(14)4-5-18-10/h1-5,15H,(H,16,17).
What are the key properties of 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide?
3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide has a molecular weight of 321.62 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2,6-dichlorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2812879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).