2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid

C11H7ClN2O3S — CID 114570716

IUPAC2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid
SMILESO=C(O)c1cc(Sc2ncc[nH]c2=O)ccc1Cl
InChIInChI=1S/C11H7ClN2O3S/c12-8-2-1-6(5-7(8)11(16)17)18-10-9(15)13-3-4-14-10/h1-5H,(H,13,15)(H,16,17)
InChIKeyWTRMQTUKIZSTJS-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid

2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid (PubChem CID 114570716) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid
PubChem CID114570716
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC Name2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid
SMILESO=C(O)c1cc(Sc2ncc[nH]c2=O)ccc1Cl
InChIInChI=1S/C11H7ClN2O3S/c12-8-2-1-6(5-7(8)11(16)17)18-10-9(15)13-3-4-14-10/h1-5H,(H,13,15)(H,16,17)
InChIKeyWTRMQTUKIZSTJS-UHFFFAOYSA-N
XLogP2.27
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114570693
2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
CID 106535045
2-chloro-5-quinazolin-2-ylsulfanylbenzoic acid
CID 114788767
5-(5-chloropyrimidin-4-yl)sulfanyl-2-methylbenzoic acid
CID 105369012
3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
5-[(3-bromo-4-pyridinyl)sulfanyl]-2-chlorobenzoic acid
CID 113451989
1-[2-chloro-4-(1H-imidazol-2-ylsulfanyl)phenyl]ethanone
CID 107780510
4-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)benzoic acid
CID 114001043
2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
5-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]-2-fluorobenzoic acid
CID 107059311
2-chloro-5-[(6-chloro-3-pyridinyl)methylsulfanyl]benzoic acid
CID 113371628
2-methyl-5-[(3-methylsulfonyl-2-pyridinyl)sulfanyl]benzoic acid
CID 114598476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid (CID 114570716) is 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid is O=C(O)c1cc(Sc2ncc[nH]c2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid?
The InChIKey is WTRMQTUKIZSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-8-2-1-6(5-7(8)11(16)17)18-10-9(15)13-3-4-14-10/h1-5H,(H,13,15)(H,16,17).
What are the key properties of 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid?
2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid has a molecular weight of 282.71 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid is sourced from PubChem (CID 114570716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).