2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide

C20H21F3N2O2S — CID 11632925

IUPAC2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccccc32)C(F)(F)F)c(C)c1
InChIInChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
InChIKeyNXRVYSZNJVQSEI-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.48
Rot. Bonds5

About 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 11632925) has the molecular formula C20H21F3N2O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID11632925
Molecular FormulaC20H21F3N2O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccccc32)C(F)(F)F)c(C)c1
InChIInChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3
InChIKeyNXRVYSZNJVQSEI-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide (CID 11632925) is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccccc32)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is NXRVYSZNJVQSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2S/c1-13-10-14(2)19(15(3)11-13)28(26,27)24-18(20(21,22)23)12-25-9-8-16-6-4-5-7-17(16)25/h4-11,18,24H,12H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-indol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11632925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).