4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide

C20H19ClN6O2S — CID 25134466

IUPAC4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2nnc3ncccc32)cc1
InChIInChI=1S/C20H19ClN6O2S/c1-20(2,3)13-6-8-15(9-7-13)30(28,29)25-16-11-14(21)12-23-19(16)27-17-5-4-10-22-18(17)24-26-27/h4-12,25H,1-3H3
InChIKeyPWOIZUSONHNOGY-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.96
Rot. Bonds4

About 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 25134466) has the molecular formula C20H19ClN6O2S and a molecular weight of 442.93 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID25134466
Molecular FormulaC20H19ClN6O2S
Molecular Weight442.93 g/mol
Exact Mass442.10
IUPAC Name4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2nnc3ncccc32)cc1
InChIInChI=1S/C20H19ClN6O2S/c1-20(2,3)13-6-8-15(9-7-13)30(28,29)25-16-11-14(21)12-23-19(16)27-17-5-4-10-22-18(17)24-26-27/h4-12,25H,1-3H3
InChIKeyPWOIZUSONHNOGY-UHFFFAOYSA-N
XLogP3.96
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide 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 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 25134466) is 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2nnc3ncccc32)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is PWOIZUSONHNOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2S/c1-20(2,3)13-6-8-15(9-7-13)30(28,29)25-16-11-14(21)12-23-19(16)27-17-5-4-10-22-18(17)24-26-27/h4-12,25H,1-3H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 442.93 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(triazolo[4,5-b]pyridin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 25134466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).