2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide

C12H9FN2OS — CID 107019647

IUPAC2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(S)ccc1F
InChIInChI=1S/C12H9FN2OS/c13-11-4-3-9(17)6-10(11)12(16)15-8-2-1-5-14-7-8/h1-7,17H,(H,15,16)
InChIKeyZPLUDNBNPTUYEY-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.76
Rot. Bonds2

About 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide

2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide (PubChem CID 107019647) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
PubChem CID107019647
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(S)ccc1F
InChIInChI=1S/C12H9FN2OS/c13-11-4-3-9(17)6-10(11)12(16)15-8-2-1-5-14-7-8/h1-7,17H,(H,15,16)
InChIKeyZPLUDNBNPTUYEY-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
2-fluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylbenzamide
CID 122631598
cis-(1S,3R)-3-[[4-fluoro-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95392256
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
CID 70655233
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide (CID 107019647) is 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide is O=C(Nc1cccnc1)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide?
The InChIKey is ZPLUDNBNPTUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-11-4-3-9(17)6-10(11)12(16)15-8-2-1-5-14-7-8/h1-7,17H,(H,15,16).
What are the key properties of 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide?
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide has a molecular weight of 248.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107019647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).