9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine

C26H22N2O2S — CID 134237294

IUPAC9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccccn3)cc2)c2ccccc21
InChIInChI=1S/C26H22N2O2S/c1-26(2)21-9-3-5-11-23(21)28(24-12-6-4-10-22(24)26)19-14-16-20(17-15-19)31(29,30)25-13-7-8-18-27-25/h3-18H,1-2H3
InChIKeyBLLLCKXPCAAUAC-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.02
Rot. Bonds3

About 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine

9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine (PubChem CID 134237294) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine
PubChem CID134237294
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccccn3)cc2)c2ccccc21
InChIInChI=1S/C26H22N2O2S/c1-26(2)21-9-3-5-11-23(21)28(24-12-6-4-10-22(24)26)19-14-16-20(17-15-19)31(29,30)25-13-7-8-18-27-25/h3-18H,1-2H3
InChIKeyBLLLCKXPCAAUAC-UHFFFAOYSA-N
XLogP6.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine?
The IUPAC name of 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine (CID 134237294) is 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine?
The canonical SMILES for 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine is CC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccccn3)cc2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine?
The InChIKey is BLLLCKXPCAAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c1-26(2)21-9-3-5-11-23(21)28(24-12-6-4-10-22(24)26)19-14-16-20(17-15-19)31(29,30)25-13-7-8-18-27-25/h3-18H,1-2H3.
What are the key properties of 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine?
9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine has a molecular weight of 426.54 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine is sourced from PubChem (CID 134237294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).