3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

C22H15ClFN5O2S — CID 2138049

IUPAC3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(NCc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C22H15ClFN5O2S/c23-15-7-11-17(12-8-15)32(30,31)22-21-26-20(25-13-14-5-9-16(24)10-6-14)18-3-1-2-4-19(18)29(21)28-27-22/h1-12H,13H2,(H,25,26)
InChIKeyTWTDUUZNMLJECH-UHFFFAOYSA-N
MW467.91 g/mol
LogP4.51
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 2138049) has the molecular formula C22H15ClFN5O2S and a molecular weight of 467.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID2138049
Molecular FormulaC22H15ClFN5O2S
Molecular Weight467.91 g/mol
Exact Mass467.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(NCc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C22H15ClFN5O2S/c23-15-7-11-17(12-8-15)32(30,31)22-21-26-20(25-13-14-5-9-16(24)10-6-14)18-3-1-2-4-19(18)29(21)28-27-22/h1-12H,13H2,(H,25,26)
InChIKeyTWTDUUZNMLJECH-UHFFFAOYSA-N
XLogP4.51
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine 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 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (CID 2138049) is 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(NCc1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is TWTDUUZNMLJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O2S/c23-15-7-11-17(12-8-15)32(30,31)22-21-26-20(25-13-14-5-9-16(24)10-6-14)18-3-1-2-4-19(18)29(21)28-27-22/h1-12H,13H2,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 467.91 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2138049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).