N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

C13H9F2N3O3S — CID 2798192

IUPACN-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9F2N3O3S/c14-8-1-3-11(10(15)5-8)17-12(19)7-22-13-4-2-9(6-16-13)18(20)21/h1-6H,7H2,(H,17,19)
InChIKeyPVQHDURDHYAVJY-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.00
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 2798192) has the molecular formula C13H9F2N3O3S and a molecular weight of 325.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID2798192
Molecular FormulaC13H9F2N3O3S
Molecular Weight325.30 g/mol
Exact Mass325.03
IUPAC NameN-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9F2N3O3S/c14-8-1-3-11(10(15)5-8)17-12(19)7-22-13-4-2-9(6-16-13)18(20)21/h1-6H,7H2,(H,17,19)
InChIKeyPVQHDURDHYAVJY-UHFFFAOYSA-N
XLogP3.00
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 2798192) is N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is PVQHDURDHYAVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3S/c14-8-1-3-11(10(15)5-8)17-12(19)7-22-13-4-2-9(6-16-13)18(20)21/h1-6H,7H2,(H,17,19).
What are the key properties of N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 325.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 2798192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).