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

C23H19N5O2S — CID 2136426

IUPAC3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine
SMILESCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C23H19N5O2S/c1-27(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)28-22(24-21)23(25-26-28)31(29,30)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeySGYBSBHOJPKVGG-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.75
Rot. Bonds5

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

3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 2136426) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID2136426
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine
SMILESCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C23H19N5O2S/c1-27(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)28-22(24-21)23(25-26-28)31(29,30)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeySGYBSBHOJPKVGG-UHFFFAOYSA-N
XLogP3.75
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine (CID 2136426) is 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine is CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is SGYBSBHOJPKVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-27(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)28-22(24-21)23(25-26-28)31(29,30)18-12-6-3-7-13-18/h2-15H,16H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-benzyl-N-methyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 429.51 g/mol, XLogP of 3.75, 5 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-methyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2136426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).