N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide

C14H10F2N2O3S — CID 26360934

IUPACN-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H10F2N2O3S/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyLULDQLRBPHCCMJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.60
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 26360934) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID26360934
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC NameN-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H10F2N2O3S/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyLULDQLRBPHCCMJ-UHFFFAOYSA-N
XLogP3.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
N-[3-(2,5-difluoroanilino)-3-oxopropyl]-4-nitrobenzamide
CID 4794523
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
1-(2,5-difluorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431163
N-(2,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7457680
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
2-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 168637370
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 26360934) is N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is LULDQLRBPHCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 324.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 26360934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).