3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide

C17H14FN5O3S — CID 70814521

IUPAC3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide
SMILESCc1nc(NC(=O)c2ccc(S(C)(=O)=O)c(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H14FN5O3S/c1-10-20-15(13-5-3-4-8-19-13)22-17(21-10)23-16(24)11-6-7-14(12(18)9-11)27(2,25)26/h3-9H,1-2H3,(H,20,21,22,23,24)
InChIKeyHPGKXOIWJUMEKM-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.04
Rot. Bonds4

About 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide

3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide (PubChem CID 70814521) has the molecular formula C17H14FN5O3S and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide
PubChem CID70814521
Molecular FormulaC17H14FN5O3S
Molecular Weight387.40 g/mol
Exact Mass387.08
IUPAC Name3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide
SMILESCc1nc(NC(=O)c2ccc(S(C)(=O)=O)c(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H14FN5O3S/c1-10-20-15(13-5-3-4-8-19-13)22-17(21-10)23-16(24)11-6-7-14(12(18)9-11)27(2,25)26/h3-9H,1-2H3,(H,20,21,22,23,24)
InChIKeyHPGKXOIWJUMEKM-UHFFFAOYSA-N
XLogP2.04
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide?
The IUPAC name of 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide (CID 70814521) is 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide is Cc1nc(NC(=O)c2ccc(S(C)(=O)=O)c(F)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide?
The InChIKey is HPGKXOIWJUMEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3S/c1-10-20-15(13-5-3-4-8-19-13)22-17(21-10)23-16(24)11-6-7-14(12(18)9-11)27(2,25)26/h3-9H,1-2H3,(H,20,21,22,23,24).
What are the key properties of 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide?
3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide has a molecular weight of 387.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 70814521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).