2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide

C14H11FN2O3S — CID 7965036

IUPAC2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11FN2O3S/c15-12-3-1-2-4-13(12)21-9-14(18)16-10-5-7-11(8-6-10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyCMKVABAYHXKRKC-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.46
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide (PubChem CID 7965036) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
PubChem CID7965036
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11FN2O3S/c15-12-3-1-2-4-13(12)21-9-14(18)16-10-5-7-11(8-6-10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyCMKVABAYHXKRKC-UHFFFAOYSA-N
XLogP3.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.46
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-[2-(4-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 5298939
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 3877678
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
2-(2-fluorophenyl)sulfanyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55508071
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 7770861
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135582572
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide (CID 7965036) is 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide is O=C(CSc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
The InChIKey is CMKVABAYHXKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-12-3-1-2-4-13(12)21-9-14(18)16-10-5-7-11(8-6-10)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide has a molecular weight of 306.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7965036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).