N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C22H18ClN5O3S2 — CID 42758180

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 42758180) has the molecular formula C22H18ClN5O3S2 and a molecular weight of 500.01 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
• PubChem CID: 42758180
• Molecular Formula: C22H18ClN5O3S2
• Molecular Weight: 500.01 g/mol
• Exact Mass: 499.05
• IUPAC Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
• InChI: InChI=1S/C22H18ClN5O3S2/c23-16-10-8-15(9-11-16)21-26-27-22(32-21)25-20(29)17-6-3-13-28(17)33(30,31)18-7-1-4-14-5-2-12-24-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,25,27,29)
• InChIKey: SDLWPLGFDWUTEP-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 105.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.01
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?

The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 42758180) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?

The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCN1S(=O)(=O)c1cccc2cccnc12.

What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?

The InChIKey is SDLWPLGFDWUTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3S2/c23-16-10-8-15(9-11-16)21-26-27-22(32-21)25-20(29)17-6-3-13-28(17)33(30,31)18-7-1-4-14-5-2-12-24-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,25,27,29).

What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 500.01 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42758180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).