N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide

C16H15F3N2O6S — CID 3804434

IUPACN-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide
SMILESCOc1ccc(N(C(=O)c2cccc(OC(F)(F)F)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C16H15F3N2O6S/c1-25-13-8-7-12(14(20-13)26-2)21(28(3,23)24)15(22)10-5-4-6-11(9-10)27-16(17,18)19/h4-9H,1-3H3
InChIKeyDEEVBIXMFUEJNN-UHFFFAOYSA-N
MW420.37 g/mol
LogP2.60
Rot. Bonds6

About N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide

N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide (PubChem CID 3804434) has the molecular formula C16H15F3N2O6S and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide
PubChem CID3804434
Molecular FormulaC16H15F3N2O6S
Molecular Weight420.37 g/mol
Exact Mass420.06
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide
SMILESCOc1ccc(N(C(=O)c2cccc(OC(F)(F)F)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C16H15F3N2O6S/c1-25-13-8-7-12(14(20-13)26-2)21(28(3,23)24)15(22)10-5-4-6-11(9-10)27-16(17,18)19/h4-9H,1-3H3
InChIKeyDEEVBIXMFUEJNN-UHFFFAOYSA-N
XLogP2.60
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide (CID 3804434) is N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide is COc1ccc(N(C(=O)c2cccc(OC(F)(F)F)c2)S(C)(=O)=O)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide?
The InChIKey is DEEVBIXMFUEJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O6S/c1-25-13-8-7-12(14(20-13)26-2)21(28(3,23)24)15(22)10-5-4-6-11(9-10)27-16(17,18)19/h4-9H,1-3H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide?
N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide has a molecular weight of 420.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 3804434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).