3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide

C15H11ClN2OS — CID 3322139

IUPAC3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2OS/c16-13-11-8-4-5-9-12(11)20-14(13)15(19)18-17-10-6-2-1-3-7-10/h1-9,17H,(H,18,19)
InChIKeyOWPPNIUTRHWLIB-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.31
Rot. Bonds3

About 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide

3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide (PubChem CID 3322139) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide
PubChem CID3322139
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2OS/c16-13-11-8-4-5-9-12(11)20-14(13)15(19)18-17-10-6-2-1-3-7-10/h1-9,17H,(H,18,19)
InChIKeyOWPPNIUTRHWLIB-UHFFFAOYSA-N
XLogP4.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide (CID 3322139) is 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide is O=C(NNc1ccccc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is OWPPNIUTRHWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-13-11-8-4-5-9-12(11)20-14(13)15(19)18-17-10-6-2-1-3-7-10/h1-9,17H,(H,18,19).
What are the key properties of 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 302.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 3322139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).