2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide

C16H16Cl2N4O2S — CID 42650590

IUPAC2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12
InChIInChI=1S/C16H16Cl2N4O2S/c1-10(2)15(16-20-19-14-5-3-4-8-22(14)16)21-25(23,24)13-9-11(17)6-7-12(13)18/h3-10,15,21H,1-2H3
InChIKeySOCWWUQRXZGZAF-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.71
Rot. Bonds5

About 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide

2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide (PubChem CID 42650590) has the molecular formula C16H16Cl2N4O2S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide
PubChem CID42650590
Molecular FormulaC16H16Cl2N4O2S
Molecular Weight399.30 g/mol
Exact Mass398.04
IUPAC Name2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12
InChIInChI=1S/C16H16Cl2N4O2S/c1-10(2)15(16-20-19-14-5-3-4-8-22(14)16)21-25(23,24)13-9-11(17)6-7-12(13)18/h3-10,15,21H,1-2H3
InChIKeySOCWWUQRXZGZAF-UHFFFAOYSA-N
XLogP3.71
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]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 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide (CID 42650590) is 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide is CC(C)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12.
What is the InChIKey of 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?
The InChIKey is SOCWWUQRXZGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2S/c1-10(2)15(16-20-19-14-5-3-4-8-22(14)16)21-25(23,24)13-9-11(17)6-7-12(13)18/h3-10,15,21H,1-2H3.
What are the key properties of 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide?
2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide has a molecular weight of 399.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 42650590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).