N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide

C21H21N5O2S — CID 91110193

About N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide

N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide (PubChem CID 91110193) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide
• PubChem CID: 91110193
• Molecular Formula: C21H21N5O2S
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.14
• IUPAC Name: N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide
• SMILES: CC(C)S(=O)(=O)Nc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
• InChI: InChI=1S/C21H21N5O2S/c1-15(2)29(27,28)25-18-13-11-16(12-14-18)19-9-6-10-20-23-21(24-26(19)20)22-17-7-4-3-5-8-17/h3-15,25H,1-2H3,(H,22,24)
• InChIKey: TWOTZFIIXIAIQM-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide?

The IUPAC name of N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide (CID 91110193) is N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide.

What is the SMILES notation for N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide?

The canonical SMILES for N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.

What is the InChIKey of N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide?

The InChIKey is TWOTZFIIXIAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-15(2)29(27,28)25-18-13-11-16(12-14-18)19-9-6-10-20-23-21(24-26(19)20)22-17-7-4-3-5-8-17/h3-15,25H,1-2H3,(H,22,24).

What are the key properties of N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide?

N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide has a molecular weight of 407.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 91110193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).