2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide

C13H11ClN2OS — CID 4158254

IUPAC2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide
SMILESC=C(NNC(=O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C13H11ClN2OS/c1-9(12-7-4-8-18-12)15-16-13(17)10-5-2-3-6-11(10)14/h2-8,15H,1H2,(H,16,17)
InChIKeyQXYVIIFQTMLEKH-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.31
Rot. Bonds4

About 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide

2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide (PubChem CID 4158254) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide
PubChem CID4158254
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide
SMILESC=C(NNC(=O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C13H11ClN2OS/c1-9(12-7-4-8-18-12)15-16-13(17)10-5-2-3-6-11(10)14/h2-8,15H,1H2,(H,16,17)
InChIKeyQXYVIIFQTMLEKH-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.31
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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Related Compounds

2-chloro-N'-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl)benzohydrazide
CID 3302598
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide
CID 4255580
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
CID 5161810
N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2663641
N'-[1-(furan-2-yl)ethenyl]thiophene-2-carbohydrazide
CID 2715141
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 7600829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide (CID 4158254) is 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide is C=C(NNC(=O)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide?
The InChIKey is QXYVIIFQTMLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-9(12-7-4-8-18-12)15-16-13(17)10-5-2-3-6-11(10)14/h2-8,15H,1H2,(H,16,17).
What are the key properties of 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide?
2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide has a molecular weight of 278.76 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide is sourced from PubChem (CID 4158254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).