3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C19H21N5O4S — CID 41135596

IUPAC3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H21N5O4S/c25-19(20-13-18-23-22-17-8-1-2-9-24(17)18)14-5-3-7-16(11-14)29(26,27)21-12-15-6-4-10-28-15/h1-3,5,7-9,11,15,21H,4,6,10,12-13H2,(H,20,25)/t15-/m0/s1
InChIKeyUQVABPYNFZKMIG-HNNXBMFYSA-N
MW415.48 g/mol
LogP1.12
Rot. Bonds7

About 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 41135596) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID41135596
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H21N5O4S/c25-19(20-13-18-23-22-17-8-1-2-9-24(17)18)14-5-3-7-16(11-14)29(26,27)21-12-15-6-4-10-28-15/h1-3,5,7-9,11,15,21H,4,6,10,12-13H2,(H,20,25)/t15-/m0/s1
InChIKeyUQVABPYNFZKMIG-HNNXBMFYSA-N
XLogP1.12
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 41135596) is 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is UQVABPYNFZKMIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c25-19(20-13-18-23-22-17-8-1-2-9-24(17)18)14-5-3-7-16(11-14)29(26,27)21-12-15-6-4-10-28-15/h1-3,5,7-9,11,15,21H,4,6,10,12-13H2,(H,20,25)/t15-/m0/s1.
What are the key properties of 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 415.48 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 41135596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).