N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide

C16H16N2O4S2 — CID 174341031

IUPACN-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide
SMILESCc1c[nH]c2cccc(N(S(C)(=O)=O)S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C16H16N2O4S2/c1-12-11-17-14-9-6-10-15(16(12)14)18(23(2,19)20)24(21,22)13-7-4-3-5-8-13/h3-11,17H,1-2H3
InChIKeyZEEDWOXASQOAQY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.63
Rot. Bonds4

About N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide

N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide (PubChem CID 174341031) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide
PubChem CID174341031
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC NameN-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide
SMILESCc1c[nH]c2cccc(N(S(C)(=O)=O)S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C16H16N2O4S2/c1-12-11-17-14-9-6-10-15(16(12)14)18(23(2,19)20)24(21,22)13-7-4-3-5-8-13/h3-11,17H,1-2H3
InChIKeyZEEDWOXASQOAQY-UHFFFAOYSA-N
XLogP2.63
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide 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-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide (CID 174341031) is N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide is Cc1c[nH]c2cccc(N(S(C)(=O)=O)S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide?
The InChIKey is ZEEDWOXASQOAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-12-11-17-14-9-6-10-15(16(12)14)18(23(2,19)20)24(21,22)13-7-4-3-5-8-13/h3-11,17H,1-2H3.
What are the key properties of N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide?
N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1H-indol-4-yl)-N-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 174341031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).