2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole

C15H9F6NO2S — CID 118627048

IUPAC2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole
SMILESCS(=O)(=O)c1cc2[nH]c3ccc(C(F)(F)F)cc3c2cc1C(F)(F)F
InChIInChI=1S/C15H9F6NO2S/c1-25(23,24)13-6-12-9(5-10(13)15(19,20)21)8-4-7(14(16,17)18)2-3-11(8)22-12/h2-6,22H,1H3
InChIKeyWRYXDKLZGLIDCM-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.76
Rot. Bonds1

About 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole

2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole (PubChem CID 118627048) has the molecular formula C15H9F6NO2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole.

Molecular Properties

Compound Name2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole
PubChem CID118627048
Molecular FormulaC15H9F6NO2S
Molecular Weight381.30 g/mol
Exact Mass381.03
IUPAC Name2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole
SMILESCS(=O)(=O)c1cc2[nH]c3ccc(C(F)(F)F)cc3c2cc1C(F)(F)F
InChIInChI=1S/C15H9F6NO2S/c1-25(23,24)13-6-12-9(5-10(13)15(19,20)21)8-4-7(14(16,17)18)2-3-11(8)22-12/h2-6,22H,1H3
InChIKeyWRYXDKLZGLIDCM-UHFFFAOYSA-N
XLogP4.76
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole?
The IUPAC name of 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole (CID 118627048) is 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole.
What is the SMILES notation for 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole?
The canonical SMILES for 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole is CS(=O)(=O)c1cc2[nH]c3ccc(C(F)(F)F)cc3c2cc1C(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole?
The InChIKey is WRYXDKLZGLIDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO2S/c1-25(23,24)13-6-12-9(5-10(13)15(19,20)21)8-4-7(14(16,17)18)2-3-11(8)22-12/h2-6,22H,1H3.
What are the key properties of 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole?
2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole has a molecular weight of 381.30 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole is sourced from PubChem (CID 118627048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).