3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine

C23H19N5O2S — CID 2137376

IUPAC3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCCc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1
InChIInChI=1S/C23H19N5O2S/c1-2-16-12-14-17(15-13-16)24-21-19-10-6-7-11-20(19)28-22(25-21)23(26-27-28)31(29,30)18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,24,25)
InChIKeyQHLZQVCOAZKYQK-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.42
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 2137376) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID2137376
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCCc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1
InChIInChI=1S/C23H19N5O2S/c1-2-16-12-14-17(15-13-16)24-21-19-10-6-7-11-20(19)28-22(25-21)23(26-27-28)31(29,30)18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,24,25)
InChIKeyQHLZQVCOAZKYQK-UHFFFAOYSA-N
XLogP4.42
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine (CID 2137376) is 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine is CCc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is QHLZQVCOAZKYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-2-16-12-14-17(15-13-16)24-21-19-10-6-7-11-20(19)28-22(25-21)23(26-27-28)31(29,30)18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,24,25).
What are the key properties of 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 429.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2137376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).