3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide

C15H10ClN3OS — CID 175786309

IUPAC3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Sc1ccccc1Cl
InChIInChI=1S/C15H10ClN3OS/c16-9-5-1-4-8-12(9)21-15-13(14(17)20)18-10-6-2-3-7-11(10)19-15/h1-8H,(H2,17,20)
InChIKeyZOPZQDHTLYJRIV-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.53
Rot. Bonds3

About 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide

3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide (PubChem CID 175786309) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide
PubChem CID175786309
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Sc1ccccc1Cl
InChIInChI=1S/C15H10ClN3OS/c16-9-5-1-4-8-12(9)21-15-13(14(17)20)18-10-6-2-3-7-11(10)19-15/h1-8H,(H2,17,20)
InChIKeyZOPZQDHTLYJRIV-UHFFFAOYSA-N
XLogP3.53
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide (CID 175786309) is 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide is NC(=O)c1nc2ccccc2nc1Sc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide?
The InChIKey is ZOPZQDHTLYJRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-9-5-1-4-8-12(9)21-15-13(14(17)20)18-10-6-2-3-7-11(10)19-15/h1-8H,(H2,17,20).
What are the key properties of 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide?
3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide has a molecular weight of 315.79 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide is sourced from PubChem (CID 175786309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).