4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C19H20N4O3S2 — CID 135352020

About 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135352020) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135352020
• Molecular Formula: C19H20N4O3S2
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.10
• IUPAC Name: 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: CN(Cc1ccccc1)C1CCOc2cc(S(=O)(=O)Nc3ncns3)ccc21
• InChI: InChI=1S/C19H20N4O3S2/c1-23(12-14-5-3-2-4-6-14)17-9-10-26-18-11-15(7-8-16(17)18)28(24,25)22-19-20-13-21-27-19/h2-8,11,13,17H,9-10,12H2,1H3,(H,20,21,22)
• InChIKey: LUSMXUKLGJUHEU-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135352020) is 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is CN(Cc1ccccc1)C1CCOc2cc(S(=O)(=O)Nc3ncns3)ccc21.

What is the InChIKey of 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is LUSMXUKLGJUHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-23(12-14-5-3-2-4-6-14)17-9-10-26-18-11-15(7-8-16(17)18)28(24,25)22-19-20-13-21-27-19/h2-8,11,13,17H,9-10,12H2,1H3,(H,20,21,22).

What are the key properties of 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 416.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).