(E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide

C16H17F3N4O2S — CID 121022019

IUPAC(E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-6-7-14-21-22-15(23(14)11-13)10-20-26(24,25)9-8-12-4-2-1-3-5-12/h1-5,8-9,13,20H,6-7,10-11H2/b9-8+
InChIKeyPJAOKBWQPSUNII-CMDGGOBGSA-N
MW386.40 g/mol
LogP2.49
Rot. Bonds5

About (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide

(E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide (PubChem CID 121022019) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide
PubChem CID121022019
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name(E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-6-7-14-21-22-15(23(14)11-13)10-20-26(24,25)9-8-12-4-2-1-3-5-12/h1-5,8-9,13,20H,6-7,10-11H2/b9-8+
InChIKeyPJAOKBWQPSUNII-CMDGGOBGSA-N
XLogP2.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide with MolForge

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Related Compounds

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CID 71978423
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CID 97381573
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CID 134793141
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CID 91911873
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CID 134787656
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CID 121022022
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CID 121022050
CID 121022050

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide (CID 121022019) is (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide?
The InChIKey is PJAOKBWQPSUNII-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)13-6-7-14-21-22-15(23(14)11-13)10-20-26(24,25)9-8-12-4-2-1-3-5-12/h1-5,8-9,13,20H,6-7,10-11H2/b9-8+.
What are the key properties of (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide?
(E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide has a molecular weight of 386.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 121022019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).