6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide

C16H11F3N2O6S2 — CID 175359284

IUPAC6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
SMILESCS(=O)(=O)c1ccc2c(S(=O)(=O)Nc3c(F)cc4c(c3F)OC(F)O4)c[nH]c2c1
InChIInChI=1S/C16H11F3N2O6S2/c1-28(22,23)7-2-3-8-10(4-7)20-6-12(8)29(24,25)21-14-9(17)5-11-15(13(14)18)27-16(19)26-11/h2-6,16,20-21H,1H3
InChIKeyYBQCBMFROHXFOM-UHFFFAOYSA-N
MW448.40 g/mol
LogP2.67
Rot. Bonds4

About 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide

6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide (PubChem CID 175359284) has the molecular formula C16H11F3N2O6S2 and a molecular weight of 448.40 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
PubChem CID175359284
Molecular FormulaC16H11F3N2O6S2
Molecular Weight448.40 g/mol
Exact Mass448.00
IUPAC Name6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
SMILESCS(=O)(=O)c1ccc2c(S(=O)(=O)Nc3c(F)cc4c(c3F)OC(F)O4)c[nH]c2c1
InChIInChI=1S/C16H11F3N2O6S2/c1-28(22,23)7-2-3-8-10(4-7)20-6-12(8)29(24,25)21-14-9(17)5-11-15(13(14)18)27-16(19)26-11/h2-6,16,20-21H,1H3
InChIKeyYBQCBMFROHXFOM-UHFFFAOYSA-N
XLogP2.67
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide 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 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide (CID 175359284) is 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide is CS(=O)(=O)c1ccc2c(S(=O)(=O)Nc3c(F)cc4c(c3F)OC(F)O4)c[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
The InChIKey is YBQCBMFROHXFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O6S2/c1-28(22,23)7-2-3-8-10(4-7)20-6-12(8)29(24,25)21-14-9(17)5-11-15(13(14)18)27-16(19)26-11/h2-6,16,20-21H,1H3.
What are the key properties of 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide has a molecular weight of 448.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 175359284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).