N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H10FN3O3S — CID 18077302

IUPACN-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H10FN3O3S/c14-10-5-4-9(17(19)20)7-11(10)16-12(18)8-21-13-3-1-2-6-15-13/h1-7H,8H2,(H,16,18)
InChIKeyYHMPFCBQPPOLMX-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.86
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 18077302) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID18077302
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H10FN3O3S/c14-10-5-4-9(17(19)20)7-11(10)16-12(18)8-21-13-3-1-2-6-15-13/h1-7H,8H2,(H,16,18)
InChIKeyYHMPFCBQPPOLMX-UHFFFAOYSA-N
XLogP2.86
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.86
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'}

Analyze N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide 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

N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
CID 4173331
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 78784900
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7963617
N-(2-chloro-4-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3442434

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 18077302) is N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is YHMPFCBQPPOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c14-10-5-4-9(17(19)20)7-11(10)16-12(18)8-21-13-3-1-2-6-15-13/h1-7H,8H2,(H,16,18).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 307.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 18077302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).