N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide

C23H22N2O4S — CID 66546338

IUPACN-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)c(OC)c1
InChIInChI=1S/C23H22N2O4S/c1-28-19-11-12-20(22(14-19)29-2)17-9-7-16(8-10-17)15-24-30(26,27)23-13-18-5-3-4-6-21(18)25-23/h3-14,24-25H,15H2,1-2H3
InChIKeyPATRWRLGIAZSFB-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.33
Rot. Bonds7

About N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide

N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 66546338) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
PubChem CID66546338
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)c(OC)c1
InChIInChI=1S/C23H22N2O4S/c1-28-19-11-12-20(22(14-19)29-2)17-9-7-16(8-10-17)15-24-30(26,27)23-13-18-5-3-4-6-21(18)25-23/h3-14,24-25H,15H2,1-2H3
InChIKeyPATRWRLGIAZSFB-UHFFFAOYSA-N
XLogP4.33
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-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 N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide (CID 66546338) is N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide is COc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)c(OC)c1.
What is the InChIKey of N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is PATRWRLGIAZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-28-19-11-12-20(22(14-19)29-2)17-9-7-16(8-10-17)15-24-30(26,27)23-13-18-5-3-4-6-21(18)25-23/h3-14,24-25H,15H2,1-2H3.
What are the key properties of N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).