6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide

C16H11Cl2NO2S — CID 54690137

IUPAC6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=C(O)c2cc(Cl)ccc2SC1
InChIInChI=1S/C16H11Cl2NO2S/c17-9-2-1-3-11(6-9)19-16(21)13-8-22-14-5-4-10(18)7-12(14)15(13)20/h1-7,20H,8H2,(H,19,21)
InChIKeyIRNAYGPJRARKOF-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.01
Rot. Bonds2

About 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide

6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide (PubChem CID 54690137) has the molecular formula C16H11Cl2NO2S and a molecular weight of 352.24 g/mol. Its IUPAC name is 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide
PubChem CID54690137
Molecular FormulaC16H11Cl2NO2S
Molecular Weight352.24 g/mol
Exact Mass350.99
IUPAC Name6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=C(O)c2cc(Cl)ccc2SC1
InChIInChI=1S/C16H11Cl2NO2S/c17-9-2-1-3-11(6-9)19-16(21)13-8-22-14-5-4-10(18)7-12(14)15(13)20/h1-7,20H,8H2,(H,19,21)
InChIKeyIRNAYGPJRARKOF-UHFFFAOYSA-N
XLogP5.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]-4-hydroxy-2H-thiochromene-3-carboxamide
CID 54718561
5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide
CID 54693832
5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
N-(3-chlorophenyl)-4-hydroxy-2,2-dimethylthiochromene-3-carboxamide
CID 54710599
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602873
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide (CID 54690137) is 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1=C(O)c2cc(Cl)ccc2SC1.
What is the InChIKey of 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide?
The InChIKey is IRNAYGPJRARKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S/c17-9-2-1-3-11(6-9)19-16(21)13-8-22-14-5-4-10(18)7-12(14)15(13)20/h1-7,20H,8H2,(H,19,21).
What are the key properties of 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide?
6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide is sourced from PubChem (CID 54690137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).