2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide

C22H19FN2O2S — CID 58119435

IUPAC2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2
InChIInChI=1S/C22H19FN2O2S/c1-25(2)28(26,27)18-11-12-21-17(13-18)14-22(24-21)16-9-7-15(8-10-16)19-5-3-4-6-20(19)23/h3-13H,14H2,1-2H3
InChIKeySQFAALXDXZNIKB-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.42
Rot. Bonds4

About 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide

2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide (PubChem CID 58119435) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide
PubChem CID58119435
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2
InChIInChI=1S/C22H19FN2O2S/c1-25(2)28(26,27)18-11-12-21-17(13-18)14-22(24-21)16-9-7-15(8-10-16)19-5-3-4-6-20(19)23/h3-13H,14H2,1-2H3
InChIKeySQFAALXDXZNIKB-UHFFFAOYSA-N
XLogP4.42
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-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 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide (CID 58119435) is 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide?
The InChIKey is SQFAALXDXZNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-25(2)28(26,27)18-11-12-21-17(13-18)14-22(24-21)16-9-7-15(8-10-16)19-5-3-4-6-20(19)23/h3-13H,14H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide?
2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide has a molecular weight of 394.47 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide is sourced from PubChem (CID 58119435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).