4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide

C22H26ClN5O2S2 — CID 4001071

About 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide

4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 4001071) has the molecular formula C22H26ClN5O2S2 and a molecular weight of 492.07 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide
• PubChem CID: 4001071
• Molecular Formula: C22H26ClN5O2S2
• Molecular Weight: 492.07 g/mol
• Exact Mass: 491.12
• IUPAC Name: 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide
• SMILES: Cc1ccc(Cc2nsc(N3CCN(CCNS(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1
• InChI: InChI=1S/C22H26ClN5O2S2/c1-17-2-4-18(5-3-17)16-21-25-22(31-26-21)28-14-12-27(13-15-28)11-10-24-32(29,30)20-8-6-19(23)7-9-20/h2-9,24H,10-16H2,1H3
• InChIKey: RIXSFRKYPKDVMA-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.07
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide (CID 4001071) is 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide is Cc1ccc(Cc2nsc(N3CCN(CCNS(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1.

What is the InChIKey of 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide?

The InChIKey is RIXSFRKYPKDVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2S2/c1-17-2-4-18(5-3-17)16-21-25-22(31-26-21)28-14-12-27(13-15-28)11-10-24-32(29,30)20-8-6-19(23)7-9-20/h2-9,24H,10-16H2,1H3.

What are the key properties of 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide?

4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 492.07 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 4001071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).