4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

C32H37FN4O3S — CID 66700948

About 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (PubChem CID 66700948) has the molecular formula C32H37FN4O3S and a molecular weight of 576.74 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
• PubChem CID: 66700948
• Molecular Formula: C32H37FN4O3S
• Molecular Weight: 576.74 g/mol
• Exact Mass: 576.26
• IUPAC Name: 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
• SMILES: Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21
• InChI: InChI=1S/C32H37FN4O3S/c1-22-19-26(33)20-23(2)30(22)41(39,40)35-29-6-5-24-3-4-25(21-28(24)29)31(38)37-17-11-32(12-18-37)9-15-36(16-10-32)27-7-13-34-14-8-27/h3-4,7-8,13-14,19-21,29,35H,5-6,9-12,15-18H2,1-2H3
• InChIKey: IUCABELMALACCU-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.74
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?

The IUPAC name of 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (CID 66700948) is 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?

The canonical SMILES for 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21.

What is the InChIKey of 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?

The InChIKey is IUCABELMALACCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O3S/c1-22-19-26(33)20-23(2)30(22)41(39,40)35-29-6-5-24-3-4-25(21-28(24)29)31(38)37-17-11-32(12-18-37)9-15-36(16-10-32)27-7-13-34-14-8-27/h3-4,7-8,13-14,19-21,29,35H,5-6,9-12,15-18H2,1-2H3.

What are the key properties of 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?

4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 576.74 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 66700948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).