N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide

C14H10ClF3N4O2S — CID 7693535

IUPACN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccccc1
InChIInChI=1S/C14H10ClF3N4O2S/c15-9-6-11(14(16,17)18)13-21-20-12(22(13)8-9)7-19-25(23,24)10-4-2-1-3-5-10/h1-6,8,19H,7H2
InChIKeyGADCVLZPLLMOTL-UHFFFAOYSA-N
MW390.77 g/mol
LogP2.88
Rot. Bonds4

About N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide

N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide (PubChem CID 7693535) has the molecular formula C14H10ClF3N4O2S and a molecular weight of 390.77 g/mol. Its IUPAC name is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
PubChem CID7693535
Molecular FormulaC14H10ClF3N4O2S
Molecular Weight390.77 g/mol
Exact Mass390.02
IUPAC NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccccc1
InChIInChI=1S/C14H10ClF3N4O2S/c15-9-6-11(14(16,17)18)13-21-20-12(22(13)8-9)7-19-25(23,24)10-4-2-1-3-5-10/h1-6,8,19H,7H2
InChIKeyGADCVLZPLLMOTL-UHFFFAOYSA-N
XLogP2.88
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide (CID 7693535) is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccccc1.
What is the InChIKey of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
The InChIKey is GADCVLZPLLMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O2S/c15-9-6-11(14(16,17)18)13-21-20-12(22(13)8-9)7-19-25(23,24)10-4-2-1-3-5-10/h1-6,8,19H,7H2.
What are the key properties of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide has a molecular weight of 390.77 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 7693535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).