3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide

C14H9ClN2O3S — CID 10829557

IUPAC3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)C1=C(Cl)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H9ClN2O3S/c15-12-9-5-1-2-6-10(9)21(19,20)13(12)14(18)17-11-7-3-4-8-16-11/h1-8H,(H,16,17,18)
InChIKeyGHTHLMAKSKNMQM-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.41
Rot. Bonds2

About 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide

3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 10829557) has the molecular formula C14H9ClN2O3S and a molecular weight of 320.76 g/mol. Its IUPAC name is 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
PubChem CID10829557
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC Name3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)C1=C(Cl)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H9ClN2O3S/c15-12-9-5-1-2-6-10(9)21(19,20)13(12)14(18)17-11-7-3-4-8-16-11/h1-8H,(H,16,17,18)
InChIKeyGHTHLMAKSKNMQM-UHFFFAOYSA-N
XLogP2.41
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
CID 2331607
4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2H-1λ6,2-benzothiazine-3-carboxamide
CID 54719424
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
1,4-dioxane;tetrakis(4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide)
CID 139145418
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] methanesulfonate
CID 12802650
magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide
CID 174276013
(3S)-2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 6560134
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
N,N'-dipyridin-2-ylbutanediamide
CID 3684644

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide (CID 10829557) is 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccn1)C1=C(Cl)c2ccccc2S1(=O)=O.
What is the InChIKey of 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is GHTHLMAKSKNMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c15-12-9-5-1-2-6-10(9)21(19,20)13(12)14(18)17-11-7-3-4-8-16-11/h1-8H,(H,16,17,18).
What are the key properties of 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10829557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).