4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide

C13H11FN2OS — CID 107033145

IUPAC4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S)c2)cn1
InChIInChI=1S/C13H11FN2OS/c1-8-2-4-10(7-15-8)16-13(17)9-3-5-11(14)12(18)6-9/h2-7,18H,1H3,(H,16,17)
InChIKeyXYCUNRJPUBORAZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.07
Rot. Bonds2

About 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide

4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide (PubChem CID 107033145) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
PubChem CID107033145
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S)c2)cn1
InChIInChI=1S/C13H11FN2OS/c1-8-2-4-10(7-15-8)16-13(17)9-3-5-11(14)12(18)6-9/h2-7,18H,1H3,(H,16,17)
InChIKeyXYCUNRJPUBORAZ-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.07
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

4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 63213093
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
CID 107031254

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide (CID 107033145) is 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide is Cc1ccc(NC(=O)c2ccc(F)c(S)c2)cn1.
What is the InChIKey of 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide?
The InChIKey is XYCUNRJPUBORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-8-2-4-10(7-15-8)16-13(17)9-3-5-11(14)12(18)6-9/h2-7,18H,1H3,(H,16,17).
What are the key properties of 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide?
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107033145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).