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

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Related Compounds

N-benzyl-N-methyl-N-[3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amine
CID 2136426
3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 2136382
3-(Benzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 18559434
3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
CID 20878431
3-(phenylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878441
3-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
N-benzyl-3-[(3-chlorophenyl)sulfonyl]-N-methylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 16019292
N-(2-chlorobenzyl)-3-((3,4-dimethylphenyl)sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 18560317
10-(3-chlorobenzenesulfonyl)-N-(2-phenylethyl)-5-thia-1,8,11,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 18591266
N-cyclopentyl-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 2136385
3-[(4-chlorophenyl)sulfonyl]-N-(1-phenylethyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 16815532
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylpropyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 18559154

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).