N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide

C29H32N2O4S2 — CID 10152792

About N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide

N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide (PubChem CID 10152792) has the molecular formula C29H32N2O4S2 and a molecular weight of 536.72 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide
• PubChem CID: 10152792
• Molecular Formula: C29H32N2O4S2
• Molecular Weight: 536.72 g/mol
• Exact Mass: 536.18
• IUPAC Name: N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide
• SMILES: CC(C)c1cc(-c2cccc(CN(c3ccc(S(C)(=O)=O)cc3)S(=O)(=O)C(C)C)c2)c2ncccc2c1
• InChI: InChI=1S/C29H32N2O4S2/c1-20(2)25-17-24-10-7-15-30-29(24)28(18-25)23-9-6-8-22(16-23)19-31(37(34,35)21(3)4)26-11-13-27(14-12-26)36(5,32)33/h6-18,20-21H,19H2,1-5H3
• InChIKey: FUCRKLJPZPTTIA-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 84.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.72
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide?

The IUPAC name of N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide (CID 10152792) is N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide.

What is the SMILES notation for N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide?

The canonical SMILES for N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide is CC(C)c1cc(-c2cccc(CN(c3ccc(S(C)(=O)=O)cc3)S(=O)(=O)C(C)C)c2)c2ncccc2c1.

What is the InChIKey of N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide?

The InChIKey is FUCRKLJPZPTTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4S2/c1-20(2)25-17-24-10-7-15-30-29(24)28(18-25)23-9-6-8-22(16-23)19-31(37(34,35)21(3)4)26-11-13-27(14-12-26)36(5,32)33/h6-18,20-21H,19H2,1-5H3.

What are the key properties of N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide?

N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide has a molecular weight of 536.72 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 10152792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).