3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine

C22H17N5O2S — CID 20878431

IUPAC3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1)c1ccccc12
InChIInChI=1S/C22H17N5O2S/c28-30(29,17-11-5-2-6-12-17)22-21-24-20(23-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)27(21)26-25-22/h1-14H,15H2,(H,23,24)
InChIKeyNRZSBSXASODLTG-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.72
Rot. Bonds5

About 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 20878431) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID20878431
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1)c1ccccc12
InChIInChI=1S/C22H17N5O2S/c28-30(29,17-11-5-2-6-12-17)22-21-24-20(23-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)27(21)26-25-22/h1-14H,15H2,(H,23,24)
InChIKeyNRZSBSXASODLTG-UHFFFAOYSA-N
XLogP3.72
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N,5-Dimethyl-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo-[1,5-a]quinazolin-2-amine
CID 44156756
N,9-Dimethyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo-[5,1-b]quinazolin-2-amine
CID 46867521
N-benzyl-N-methyl-N-[3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amine
CID 2136426
UT-B-IN-1
CID 16019476
5-(benzenesulfonyl)-N,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
CID 44476514
4-(benzenesulfonyl)-N,8,11-trimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-amine
CID 70245924
UTA1inh-D1
CID 16019508
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
N-(2-chlorobenzyl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878435
3-(phenylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878441

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine (CID 20878431) is 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine is O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1)c1ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is NRZSBSXASODLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c28-30(29,17-11-5-2-6-12-17)22-21-24-20(23-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)27(21)26-25-22/h1-14H,15H2,(H,23,24).
What are the key properties of 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 415.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20878431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).