2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide

C17H14F2N4O5S — CID 156565676

IUPAC2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(S(=O)(=O)NC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C17H14F2N4O5S/c1-27-12-8-4-2-6-10(12)14-20-17(22-21-14)29(25,26)23-15(24)11-7-3-5-9-13(11)28-16(18)19/h2-9,16H,1H3,(H,23,24)(H,20,21,22)
InChIKeyJZIIFVGFLLYGNV-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.20
Rot. Bonds7

About 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide

2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide (PubChem CID 156565676) has the molecular formula C17H14F2N4O5S and a molecular weight of 424.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide
PubChem CID156565676
Molecular FormulaC17H14F2N4O5S
Molecular Weight424.39 g/mol
Exact Mass424.07
IUPAC Name2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(S(=O)(=O)NC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C17H14F2N4O5S/c1-27-12-8-4-2-6-10(12)14-20-17(22-21-14)29(25,26)23-15(24)11-7-3-5-9-13(11)28-16(18)19/h2-9,16H,1H3,(H,23,24)(H,20,21,22)
InChIKeyJZIIFVGFLLYGNV-UHFFFAOYSA-N
XLogP2.20
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide (CID 156565676) is 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide is COc1ccccc1-c1n[nH]c(S(=O)(=O)NC(=O)c2ccccc2OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide?
The InChIKey is JZIIFVGFLLYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O5S/c1-27-12-8-4-2-6-10(12)14-20-17(22-21-14)29(25,26)23-15(24)11-7-3-5-9-13(11)28-16(18)19/h2-9,16H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide?
2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide has a molecular weight of 424.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfonyl]benzamide is sourced from PubChem (CID 156565676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).