4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide

C24H28N6O6S — CID 73132345

About 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide

4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide (PubChem CID 73132345) has the molecular formula C24H28N6O6S and a molecular weight of 528.59 g/mol. Its IUPAC name is 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide
• PubChem CID: 73132345
• Molecular Formula: C24H28N6O6S
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.18
• IUPAC Name: 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NC2COC3C2OCC3n2nnnc2Oc2cccc(N3CCOCC3)c2)cc1
• InChI: InChI=1S/C24H28N6O6S/c1-16-5-7-19(8-6-16)37(31,32)26-20-14-34-23-21(15-35-22(20)23)30-24(25-27-28-30)36-18-4-2-3-17(13-18)29-9-11-33-12-10-29/h2-8,13,20-23,26H,9-12,14-15H2,1H3
• InChIKey: MFAIZJKZUFTBAL-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 129.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.59
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide (CID 73132345) is 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2COC3C2OCC3n2nnnc2Oc2cccc(N3CCOCC3)c2)cc1.

What is the InChIKey of 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?

The InChIKey is MFAIZJKZUFTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O6S/c1-16-5-7-19(8-6-16)37(31,32)26-20-14-34-23-21(15-35-22(20)23)30-24(25-27-28-30)36-18-4-2-3-17(13-18)29-9-11-33-12-10-29/h2-8,13,20-23,26H,9-12,14-15H2,1H3.

What are the key properties of 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide?

4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide has a molecular weight of 528.59 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[6-[5-(3-morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 73132345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).