4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C19H22N4O5S2 — CID 3244028

IUPAC4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1
InChIInChI=1S/C19H22N4O5S2/c20-29(25,26)15-10-8-14(9-11-15)12-13-21-19(24)7-3-6-18-22-16-4-1-2-5-17(16)30(27,28)23-18/h1-2,4-5,8-11H,3,6-7,12-13H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeySUAORNCBHPXIEU-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.38
Rot. Bonds8

About 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 3244028) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID3244028
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1
InChIInChI=1S/C19H22N4O5S2/c20-29(25,26)15-10-8-14(9-11-15)12-13-21-19(24)7-3-6-18-22-16-4-1-2-5-17(16)30(27,28)23-18/h1-2,4-5,8-11H,3,6-7,12-13H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeySUAORNCBHPXIEU-UHFFFAOYSA-N
XLogP1.38
TPSA147.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide 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 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 3244028) is 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1.
What is the InChIKey of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is SUAORNCBHPXIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c20-29(25,26)15-10-8-14(9-11-15)12-13-21-19(24)7-3-6-18-22-16-4-1-2-5-17(16)30(27,28)23-18/h1-2,4-5,8-11H,3,6-7,12-13H2,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 450.54 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 3244028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).