2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide

C15H10Cl4N4O2S — CID 22772197

IUPAC2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl4N4O2S/c16-9-4-5-13(19)14(6-9)26(24,25)22-15-20-8-23(21-15)7-10-11(17)2-1-3-12(10)18/h1-6,8H,7H2,(H,21,22)
InChIKeyLIHLSIDZGAGIBB-UHFFFAOYSA-N
MW452.15 g/mol
LogP4.74
Rot. Bonds5

About 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide

2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide (PubChem CID 22772197) has the molecular formula C15H10Cl4N4O2S and a molecular weight of 452.15 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
PubChem CID22772197
Molecular FormulaC15H10Cl4N4O2S
Molecular Weight452.15 g/mol
Exact Mass449.93
IUPAC Name2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl4N4O2S/c16-9-4-5-13(19)14(6-9)26(24,25)22-15-20-8-23(21-15)7-10-11(17)2-1-3-12(10)18/h1-6,8H,7H2,(H,21,22)
InChIKeyLIHLSIDZGAGIBB-UHFFFAOYSA-N
XLogP4.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.15
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]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-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide (CID 22772197) is 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
The InChIKey is LIHLSIDZGAGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N4O2S/c16-9-4-5-13(19)14(6-9)26(24,25)22-15-20-8-23(21-15)7-10-11(17)2-1-3-12(10)18/h1-6,8H,7H2,(H,21,22).
What are the key properties of 2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide has a molecular weight of 452.15 g/mol, XLogP of 4.74, 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-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22772197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).