3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

C22H16ClN5O2S — CID 20878435

IUPAC3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1Cl)c1ccccc12
InChIInChI=1S/C22H16ClN5O2S/c23-18-12-6-4-8-15(18)14-24-20-17-11-5-7-13-19(17)28-21(25-20)22(26-27-28)31(29,30)16-9-2-1-3-10-16/h1-13H,14H2,(H,24,25)
InChIKeyGFQSIUUYMNTIQJ-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.38
Rot. Bonds5

About 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 20878435) has the molecular formula C22H16ClN5O2S and a molecular weight of 449.92 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID20878435
Molecular FormulaC22H16ClN5O2S
Molecular Weight449.92 g/mol
Exact Mass449.07
IUPAC Name3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1Cl)c1ccccc12
InChIInChI=1S/C22H16ClN5O2S/c23-18-12-6-4-8-15(18)14-24-20-17-11-5-7-13-19(17)28-21(25-20)22(26-27-28)31(29,30)16-9-2-1-3-10-16/h1-13H,14H2,(H,24,25)
InChIKeyGFQSIUUYMNTIQJ-UHFFFAOYSA-N
XLogP4.38
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-N-[(2-chlorophenyl)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-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (CID 20878435) is 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1Cl)c1ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is GFQSIUUYMNTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2S/c23-18-12-6-4-8-15(18)14-24-20-17-11-5-7-13-19(17)28-21(25-20)22(26-27-28)31(29,30)16-9-2-1-3-10-16/h1-13H,14H2,(H,24,25).
What are the key properties of 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 449.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20878435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).