3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide

C16H10Cl2N2O2S — CID 2851857

IUPAC3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2O2S/c17-10-7-5-9(6-8-10)15(21)19-20-16(22)14-13(18)11-3-1-2-4-12(11)23-14/h1-8H,(H,19,21)(H,20,22)
InChIKeyRZXMLGZNLZQHDQ-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.28
Rot. Bonds2

About 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide

3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 2851857) has the molecular formula C16H10Cl2N2O2S and a molecular weight of 365.24 g/mol. Its IUPAC name is 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide
PubChem CID2851857
Molecular FormulaC16H10Cl2N2O2S
Molecular Weight365.24 g/mol
Exact Mass363.98
IUPAC Name3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2O2S/c17-10-7-5-9(6-8-10)15(21)19-20-16(22)14-13(18)11-3-1-2-4-12(11)23-14/h1-8H,(H,19,21)(H,20,22)
InChIKeyRZXMLGZNLZQHDQ-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.28
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'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide (CID 2851857) is 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide is O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is RZXMLGZNLZQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2S/c17-10-7-5-9(6-8-10)15(21)19-20-16(22)14-13(18)11-3-1-2-4-12(11)23-14/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 365.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-chlorobenzoyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 2851857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).