11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole

C18H12F3NO2S — CID 58410484

IUPAC11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole
SMILESCn1c2ccccc2c2ccc3cc(S(=O)(=O)C(F)(F)F)ccc3c21
InChIInChI=1S/C18H12F3NO2S/c1-22-16-5-3-2-4-14(16)15-8-6-11-10-12(7-9-13(11)17(15)22)25(23,24)18(19,20)21/h2-10H,1H3
InChIKeyZYIYERLAWSUBIJ-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.78
Rot. Bonds1

About 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole

11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole (PubChem CID 58410484) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole
PubChem CID58410484
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole
SMILESCn1c2ccccc2c2ccc3cc(S(=O)(=O)C(F)(F)F)ccc3c21
InChIInChI=1S/C18H12F3NO2S/c1-22-16-5-3-2-4-14(16)15-8-6-11-10-12(7-9-13(11)17(15)22)25(23,24)18(19,20)21/h2-10H,1H3
InChIKeyZYIYERLAWSUBIJ-UHFFFAOYSA-N
XLogP4.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole?
The IUPAC name of 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole (CID 58410484) is 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole.
What is the SMILES notation for 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole?
The canonical SMILES for 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole is Cn1c2ccccc2c2ccc3cc(S(=O)(=O)C(F)(F)F)ccc3c21.
What is the InChIKey of 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole?
The InChIKey is ZYIYERLAWSUBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c1-22-16-5-3-2-4-14(16)15-8-6-11-10-12(7-9-13(11)17(15)22)25(23,24)18(19,20)21/h2-10H,1H3.
What are the key properties of 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole?
11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole has a molecular weight of 363.36 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3-(trifluoromethylsulfonyl)benzo[a]carbazole is sourced from PubChem (CID 58410484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).