N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H23ClN6O3S2 — CID 71592063

About N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 71592063) has the molecular formula C23H23ClN6O3S2 and a molecular weight of 531.06 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 71592063
• Molecular Formula: C23H23ClN6O3S2
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.10
• IUPAC Name: N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: Cc1cc(C)c2ccc(C)c(-n3c(C)nnc3SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2n1
• InChI: InChI=1S/C23H23ClN6O3S2/c1-12-5-7-17-13(2)9-14(3)26-21(17)22(12)30-15(4)28-29-23(30)34-11-20(31)27-19-8-6-16(10-18(19)24)35(25,32)33/h5-10H,11H2,1-4H3,(H,27,31)(H2,25,32,33)
• InChIKey: WJKZFQHOJVUTNS-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 71592063) is N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1cc(C)c2ccc(C)c(-n3c(C)nnc3SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2n1.

What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is WJKZFQHOJVUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S2/c1-12-5-7-17-13(2)9-14(3)26-21(17)22(12)30-15(4)28-29-23(30)34-11-20(31)27-19-8-6-16(10-18(19)24)35(25,32)33/h5-10H,11H2,1-4H3,(H,27,31)(H2,25,32,33).

What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 531.06 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 71592063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).