N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide

C12H9ClN2O3S — CID 3395241

IUPACN'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cccs1
InChIInChI=1S/C12H9ClN2O3S/c13-7-3-4-9(16)8(6-7)11(17)14-15-12(18)10-2-1-5-19-10/h1-6,16H,(H,14,17)(H,15,18)
InChIKeyQZXCTPCUMBPNTI-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.18
Rot. Bonds2

About N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide

N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide (PubChem CID 3395241) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide
PubChem CID3395241
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC NameN'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cccs1
InChIInChI=1S/C12H9ClN2O3S/c13-7-3-4-9(16)8(6-7)11(17)14-15-12(18)10-2-1-5-19-10/h1-6,16H,(H,14,17)(H,15,18)
InChIKeyQZXCTPCUMBPNTI-UHFFFAOYSA-N
XLogP2.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
CID 2408294
2-hydroxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 8934553
5-chloro-2-hydroxy-N-[(E)-thiolan-3-ylideneamino]benzamide
CID 5348386
N'-[(1E)-1-(5-bromothien-2-yl)ethylidene]-5-chloro-2-hydroxybenzohydrazide
CID 9710903
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
CID 7536259
2-Hydroxy-N'-[(thiophen-3-yl)acetyl]benzohydrazide
CID 24980316
2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
CID 18109131
N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 18109178
N'-[(Z)-(5-Chloro-2-hydroxyphenyl)methylidene]thiophene-2-carbohydrazide
CID 135900935
N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide
CID 393336
(E)-N'-(5-chloro-2-hydroxybenzylidene)thiophene-2-carbohydrazide
CID 135537480
N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 58237789

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide (CID 3395241) is N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1cc(Cl)ccc1O)c1cccs1.
What is the InChIKey of N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide?
The InChIKey is QZXCTPCUMBPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c13-7-3-4-9(16)8(6-7)11(17)14-15-12(18)10-2-1-5-19-10/h1-6,16H,(H,14,17)(H,15,18).
What are the key properties of N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide?
N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide has a molecular weight of 296.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxybenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 3395241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).