N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide

C12H9Cl2N3OS — CID 51319436

IUPACN-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9Cl2N3OS/c13-8-3-4-10(16-6-8)17-11(18)7-19-12-9(14)2-1-5-15-12/h1-6H,7H2,(H,16,17,18)
InChIKeyHDYJPQIIRFZAGW-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.51
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 51319436) has the molecular formula C12H9Cl2N3OS and a molecular weight of 314.20 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
PubChem CID51319436
Molecular FormulaC12H9Cl2N3OS
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9Cl2N3OS/c13-8-3-4-10(16-6-8)17-11(18)7-19-12-9(14)2-1-5-15-12/h1-6H,7H2,(H,16,17,18)
InChIKeyHDYJPQIIRFZAGW-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 757778
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
CID 24530947
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 24601940
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 55496936
N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 34136142
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 24601997

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide (CID 51319436) is N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ncccc1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is HDYJPQIIRFZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3OS/c13-8-3-4-10(16-6-8)17-11(18)7-19-12-9(14)2-1-5-15-12/h1-6H,7H2,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 314.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 51319436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).