N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide

C16H16F2N8O3S — CID 175834485

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cn1ncc(-c2nnc(C(F)F)o2)n1)c1ccc2cnn(C)c2c1
InChIInChI=1S/C16H16F2N8O3S/c1-3-30(27,28)25(11-5-4-10-7-19-24(2)13(10)6-11)9-26-20-8-12(23-26)15-21-22-16(29-15)14(17)18/h4-8,14H,3,9H2,1-2H3
InChIKeySKRPIAPUPHTJGJ-UHFFFAOYSA-N
MW438.42 g/mol
LogP1.97
Rot. Bonds7

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide (PubChem CID 175834485) has the molecular formula C16H16F2N8O3S and a molecular weight of 438.42 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
PubChem CID175834485
Molecular FormulaC16H16F2N8O3S
Molecular Weight438.42 g/mol
Exact Mass438.10
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cn1ncc(-c2nnc(C(F)F)o2)n1)c1ccc2cnn(C)c2c1
InChIInChI=1S/C16H16F2N8O3S/c1-3-30(27,28)25(11-5-4-10-7-19-24(2)13(10)6-11)9-26-20-8-12(23-26)15-21-22-16(29-15)14(17)18/h4-8,14H,3,9H2,1-2H3
InChIKeySKRPIAPUPHTJGJ-UHFFFAOYSA-N
XLogP1.97
TPSA124.83 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide (CID 175834485) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide is CCS(=O)(=O)N(Cn1ncc(-c2nnc(C(F)F)o2)n1)c1ccc2cnn(C)c2c1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The InChIKey is SKRPIAPUPHTJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N8O3S/c1-3-30(27,28)25(11-5-4-10-7-19-24(2)13(10)6-11)9-26-20-8-12(23-26)15-21-22-16(29-15)14(17)18/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide has a molecular weight of 438.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide is sourced from PubChem (CID 175834485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).