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

C24H21N5O2S — CID 20878448

IUPAC3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C24H21N5O2S/c1-2-28(17-18-11-5-3-6-12-18)22-20-15-9-10-16-21(20)29-23(25-22)24(26-27-29)32(30,31)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3
InChIKeyYLHYKPPGODGZIL-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.14
Rot. Bonds6

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

3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 20878448) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID20878448
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C24H21N5O2S/c1-2-28(17-18-11-5-3-6-12-18)22-20-15-9-10-16-21(20)29-23(25-22)24(26-27-29)32(30,31)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3
InChIKeyYLHYKPPGODGZIL-UHFFFAOYSA-N
XLogP4.14
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
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
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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
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
3-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
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CID 1886648
N-[1-Butyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1930124
N-[1-Allyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1942142
N-benzyl-3-[(3-chlorophenyl)sulfonyl]-N-methylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 16019292
N-(4-fluorobenzyl)-3-tosylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine (CID 20878448) is 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine is CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is YLHYKPPGODGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-2-28(17-18-11-5-3-6-12-18)22-20-15-9-10-16-21(20)29-23(25-22)24(26-27-29)32(30,31)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 443.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-benzyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20878448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).