N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide

C14H6Cl2F5NOS — CID 7467411

IUPACN-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl2F5NOS/c15-5-1-2-7(6(16)3-5)22-8(23)4-24-14-12(20)10(18)9(17)11(19)13(14)21/h1-3H,4H2,(H,22,23)
InChIKeyWSJUHTJARWCSLI-UHFFFAOYSA-N
MW402.17 g/mol
LogP5.42
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide

N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (PubChem CID 7467411) has the molecular formula C14H6Cl2F5NOS and a molecular weight of 402.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
PubChem CID7467411
Molecular FormulaC14H6Cl2F5NOS
Molecular Weight402.17 g/mol
Exact Mass400.95
IUPAC NameN-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl2F5NOS/c15-5-1-2-7(6(16)3-5)22-8(23)4-24-14-12(20)10(18)9(17)11(19)13(14)21/h1-3H,4H2,(H,22,23)
InChIKeyWSJUHTJARWCSLI-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.17
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467403
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 804017
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
N-(2,4-dichlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542477
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 7845600
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (CID 7467411) is N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The InChIKey is WSJUHTJARWCSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F5NOS/c15-5-1-2-7(6(16)3-5)22-8(23)4-24-14-12(20)10(18)9(17)11(19)13(14)21/h1-3H,4H2,(H,22,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide has a molecular weight of 402.17 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7467411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).