10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine

C26H22N2O2S — CID 134237292

IUPAC10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccccc3)cn2)c2ccccc21
InChIInChI=1S/C26H22N2O2S/c1-26(2)21-12-6-8-14-23(21)28(24-15-9-7-13-22(24)26)25-17-16-20(18-27-25)31(29,30)19-10-4-3-5-11-19/h3-18H,1-2H3
InChIKeyOYIMHDLMQGVXKY-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.02
Rot. Bonds3

About 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine

10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine (PubChem CID 134237292) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine
PubChem CID134237292
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccccc3)cn2)c2ccccc21
InChIInChI=1S/C26H22N2O2S/c1-26(2)21-12-6-8-14-23(21)28(24-15-9-7-13-22(24)26)25-17-16-20(18-27-25)31(29,30)19-10-4-3-5-11-19/h3-18H,1-2H3
InChIKeyOYIMHDLMQGVXKY-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 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine?
The IUPAC name of 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine (CID 134237292) is 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccccc3)cn2)c2ccccc21.
What is the InChIKey of 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine?
The InChIKey is OYIMHDLMQGVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c1-26(2)21-12-6-8-14-23(21)28(24-15-9-7-13-22(24)26)25-17-16-20(18-27-25)31(29,30)19-10-4-3-5-11-19/h3-18H,1-2H3.
What are the key properties of 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine?
10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine 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 10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine is sourced from PubChem (CID 134237292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).