2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

C22H26N4O4S — CID 90614672

About 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90614672) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
• PubChem CID: 90614672
• Molecular Formula: C22H26N4O4S
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.17
• IUPAC Name: 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c(OC)c1
• InChI: InChI=1S/C22H26N4O4S/c1-29-16-10-11-21(20(15-16)30-2)31(27,28)24-13-14-26-19-9-4-3-7-17(19)22(25-26)18-8-5-6-12-23-18/h5-6,8,10-12,15,24H,3-4,7,9,13-14H2,1-2H3
• InChIKey: SCEONFNJPHUNLC-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?

The IUPAC name of 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (CID 90614672) is 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?

The canonical SMILES for 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c(OC)c1.

What is the InChIKey of 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?

The InChIKey is SCEONFNJPHUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-29-16-10-11-21(20(15-16)30-2)31(27,28)24-13-14-26-19-9-4-3-7-17(19)22(25-26)18-8-5-6-12-23-18/h5-6,8,10-12,15,24H,3-4,7,9,13-14H2,1-2H3.

What are the key properties of 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?

2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90614672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).