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

C14H7ClF5NOS — CID 7467403

IUPACN-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(Cl)c1
InChIInChI=1S/C14H7ClF5NOS/c15-6-2-1-3-7(4-6)21-8(22)5-23-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2,(H,21,22)
InChIKeyVNTGRPFNLXGBIJ-UHFFFAOYSA-N
MW367.73 g/mol
LogP4.77
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (PubChem CID 7467403) has the molecular formula C14H7ClF5NOS and a molecular weight of 367.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
PubChem CID7467403
Molecular FormulaC14H7ClF5NOS
Molecular Weight367.73 g/mol
Exact Mass366.99
IUPAC NameN-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(Cl)c1
InChIInChI=1S/C14H7ClF5NOS/c15-6-2-1-3-7(4-6)21-8(22)5-23-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2,(H,21,22)
InChIKeyVNTGRPFNLXGBIJ-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.73
LogP ≤ 54.77
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-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467411
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-[[5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 6418312
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (CID 7467403) is N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The InChIKey is VNTGRPFNLXGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF5NOS/c15-6-2-1-3-7(4-6)21-8(22)5-23-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide has a molecular weight of 367.73 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7467403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).