4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C24H26N2O8S3 — CID 162671172

About 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 162671172) has the molecular formula C24H26N2O8S3 and a molecular weight of 566.68 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
• PubChem CID: 162671172
• Molecular Formula: C24H26N2O8S3
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.09
• IUPAC Name: 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C24H26N2O8S3/c1-33-20-8-12-22(13-9-20)36(29,30)26(37(31,32)23-14-10-21(34-2)11-15-23)19-7-6-18-5-4-16-25(24(18)17-19)35(3,27)28/h6-15,17H,4-5,16H2,1-3H3
• InChIKey: LSZMHHXCHKWRLB-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 127.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?

The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 162671172) is 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?

The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(OC)cc2)cc1.

What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?

The InChIKey is LSZMHHXCHKWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O8S3/c1-33-20-8-12-22(13-9-20)36(29,30)26(37(31,32)23-14-10-21(34-2)11-15-23)19-7-6-18-5-4-16-25(24(18)17-19)35(3,27)28/h6-15,17H,4-5,16H2,1-3H3.

What are the key properties of 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?

4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 566.68 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 162671172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).