1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C19H17FN4O3S2 — CID 43853224

About 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 43853224) has the molecular formula C19H17FN4O3S2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
• PubChem CID: 43853224
• Molecular Formula: C19H17FN4O3S2
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.07
• IUPAC Name: 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
• SMILES: Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)s1
• InChI: InChI=1S/C19H17FN4O3S2/c1-12-21-22-19(28-12)23-29(26,27)16-7-8-17-13(11-16)5-3-9-24(17)18(25)14-4-2-6-15(20)10-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,23)
• InChIKey: UPOWMACLAZDGSH-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

The IUPAC name of 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 43853224) is 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

What is the SMILES notation for 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

The canonical SMILES for 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)s1.

What is the InChIKey of 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

The InChIKey is UPOWMACLAZDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S2/c1-12-21-22-19(28-12)23-29(26,27)16-7-8-17-13(11-16)5-3-9-24(17)18(25)14-4-2-6-15(20)10-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,23).

What are the key properties of 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 432.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 43853224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).