4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide

C14H13FN2O3S — CID 63213093

IUPAC4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)ccc1F
InChIInChI=1S/C14H13FN2O3S/c1-9-7-10(3-5-12(9)15)14(18)17-11-4-6-13(16-8-11)21(2,19)20/h3-8H,1-2H3,(H,17,18)
InChIKeyAISKLWGLKOBSAX-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.18
Rot. Bonds3

About 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide

4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide (PubChem CID 63213093) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
PubChem CID63213093
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)ccc1F
InChIInChI=1S/C14H13FN2O3S/c1-9-7-10(3-5-12(9)15)14(18)17-11-4-6-13(16-8-11)21(2,19)20/h3-8H,1-2H3,(H,17,18)
InChIKeyAISKLWGLKOBSAX-UHFFFAOYSA-N
XLogP2.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 103763941
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532789
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide (CID 63213093) is 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide is Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The InChIKey is AISKLWGLKOBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-9-7-10(3-5-12(9)15)14(18)17-11-4-6-13(16-8-11)21(2,19)20/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide has a molecular weight of 308.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide is sourced from PubChem (CID 63213093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).