4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

C16H15F3N2O4S — CID 127039763

IUPAC4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-25-13-5-2-11(3-6-13)15(22)20-8-9-26(23,24)14-7-4-12(10-21-14)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyGTIZNWFICCGJBM-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.31
Rot. Bonds6

About 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (PubChem CID 127039763) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
PubChem CID127039763
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-25-13-5-2-11(3-6-13)15(22)20-8-9-26(23,24)14-7-4-12(10-21-14)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyGTIZNWFICCGJBM-UHFFFAOYSA-N
XLogP2.31
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (CID 127039763) is 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is COc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The InChIKey is GTIZNWFICCGJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-25-13-5-2-11(3-6-13)15(22)20-8-9-26(23,24)14-7-4-12(10-21-14)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is sourced from PubChem (CID 127039763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).