N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C30H37N5O7S — CID 98405012

About N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 98405012) has the molecular formula C30H37N5O7S and a molecular weight of 611.72 g/mol. Its IUPAC name is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
• PubChem CID: 98405012
• Molecular Formula: C30H37N5O7S
• Molecular Weight: 611.72 g/mol
• Exact Mass: 611.24
• IUPAC Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C[C@H]2CCCO2)cc1
• InChI: InChI=1S/C30H37N5O7S/c1-39-22-6-9-25(10-7-22)43(37,38)35(20-24-5-4-18-42-24)21-30(36)34-16-14-33(15-17-34)29-13-12-27(31-32-29)26-11-8-23(40-2)19-28(26)41-3/h6-13,19,24H,4-5,14-18,20-21H2,1-3H3/t24-/m1/s1
• InChIKey: LNVYYCDJGHCREZ-XMMPIXPASA-N
• XLogP: 2.69
• TPSA: 123.63 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.72
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?

The IUPAC name of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 98405012) is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

What is the SMILES notation for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?

The canonical SMILES for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C[C@H]2CCCO2)cc1.

What is the InChIKey of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?

The InChIKey is LNVYYCDJGHCREZ-XMMPIXPASA-N. The full InChI is InChI=1S/C30H37N5O7S/c1-39-22-6-9-25(10-7-22)43(37,38)35(20-24-5-4-18-42-24)21-30(36)34-16-14-33(15-17-34)29-13-12-27(31-32-29)26-11-8-23(40-2)19-28(26)41-3/h6-13,19,24H,4-5,14-18,20-21H2,1-3H3/t24-/m1/s1.

What are the key properties of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 611.72 g/mol, XLogP of 2.69, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 98405012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).