3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride

C14H10Cl2N2OS — CID 42625778

IUPAC3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccncc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H9ClN2OS.ClH/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9;/h1-8H,(H,16,17,18);1H
InChIKeyIJSIGKZRQSSASF-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.62
Rot. Bonds2

About 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride

3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 42625778) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID42625778
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccncc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H9ClN2OS.ClH/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9;/h1-8H,(H,16,17,18);1H
InChIKeyIJSIGKZRQSSASF-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride (CID 42625778) is 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccncc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is IJSIGKZRQSSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS.ClH/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9;/h1-8H,(H,16,17,18);1H.
What are the key properties of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride?
3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 325.22 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 42625778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).