N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide

C14H8Cl5NOS — CID 2822568

IUPACN-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(Cl)c(Cl)cc(Cl)c1Cl)Nc1ccccc1Cl
InChIInChI=1S/C14H8Cl5NOS/c15-7-3-1-2-4-10(7)20-11(21)6-22-14-12(18)8(16)5-9(17)13(14)19/h1-5H,6H2,(H,20,21)
InChIKeyUJQDTAOLZFGUAA-UHFFFAOYSA-N
MW415.56 g/mol
LogP6.68
Rot. Bonds4

About N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide

N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide (PubChem CID 2822568) has the molecular formula C14H8Cl5NOS and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
PubChem CID2822568
Molecular FormulaC14H8Cl5NOS
Molecular Weight415.56 g/mol
Exact Mass412.88
IUPAC NameN-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(Cl)c(Cl)cc(Cl)c1Cl)Nc1ccccc1Cl
InChIInChI=1S/C14H8Cl5NOS/c15-7-3-1-2-4-10(7)20-11(21)6-22-14-12(18)8(16)5-9(17)13(14)19/h1-5H,6H2,(H,20,21)
InChIKeyUJQDTAOLZFGUAA-UHFFFAOYSA-N
XLogP6.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
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N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
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N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
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N-(2-chlorophenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9032028
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
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N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide (CID 2822568) is N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide is O=C(CSc1c(Cl)c(Cl)cc(Cl)c1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide?
The InChIKey is UJQDTAOLZFGUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl5NOS/c15-7-3-1-2-4-10(7)20-11(21)6-22-14-12(18)8(16)5-9(17)13(14)19/h1-5H,6H2,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide has a molecular weight of 415.56 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2822568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).