N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C22H22N4O5S2 — CID 55383479

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55383479) has the molecular formula C22H22N4O5S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

• Compound Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
• PubChem CID: 55383479
• Molecular Formula: C22H22N4O5S2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.10
• IUPAC Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
• SMILES: CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1
• InChI: InChI=1S/C22H22N4O5S2/c1-25(16-17-6-3-2-4-7-17)33(30,31)19-11-9-18(10-12-19)23-22(27)20-8-5-13-26-14-15-32(28,29)24-21(20)26/h2-13H,14-16H2,1H3,(H,23,27)
• InChIKey: ICGXRIJWRJXYHW-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 116.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?

The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55383479) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?

The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1.

What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?

The InChIKey is ICGXRIJWRJXYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S2/c1-25(16-17-6-3-2-4-7-17)33(30,31)19-11-9-18(10-12-19)23-22(27)20-8-5-13-26-14-15-32(28,29)24-21(20)26/h2-13H,14-16H2,1H3,(H,23,27).

What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55383479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).