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

C14H6F6N2O3S — CID 7467427

IUPACN-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H6F6N2O3S/c15-6-2-1-5(22(24)25)3-7(6)21-8(23)4-26-14-12(19)10(17)9(16)11(18)13(14)20/h1-3H,4H2,(H,21,23)
InChIKeySEBKYYJMIUXNSX-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.16
Rot. Bonds5

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

N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (PubChem CID 7467427) has the molecular formula C14H6F6N2O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
PubChem CID7467427
Molecular FormulaC14H6F6N2O3S
Molecular Weight396.27 g/mol
Exact Mass396.00
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H6F6N2O3S/c15-6-2-1-5(22(24)25)3-7(6)21-8(23)4-26-14-12(19)10(17)9(16)11(18)13(14)20/h1-3H,4H2,(H,21,23)
InChIKeySEBKYYJMIUXNSX-UHFFFAOYSA-N
XLogP4.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7963617
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
N-(2-fluoro-5-nitrophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 7804955
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467411
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 78784900

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (CID 7467427) is N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The InChIKey is SEBKYYJMIUXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6N2O3S/c15-6-2-1-5(22(24)25)3-7(6)21-8(23)4-26-14-12(19)10(17)9(16)11(18)13(14)20/h1-3H,4H2,(H,21,23).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide has a molecular weight of 396.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7467427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).