N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide

C26H33F3N2O3S — CID 67481012

About N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 67481012) has the molecular formula C26H33F3N2O3S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 67481012
• Molecular Formula: C26H33F3N2O3S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.22
• IUPAC Name: N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
• SMILES: CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NS(=O)(=O)c3ccccc3C(F)(F)F)CC[C@@H]12
• InChI: InChI=1S/C26H33F3N2O3S/c1-24-14-12-18-16(8-11-22-25(18,2)15-13-23(32)31(22)3)17(24)9-10-21(24)30-35(33,34)20-7-5-4-6-19(20)26(27,28)29/h4-7,13,15-18,21-22,30H,8-12,14H2,1-3H3/t16-,17-,18+,21?,22?,24-,25+/m0/s1
• InChIKey: XMRSJWDCZBYUFO-KUVSFDERSA-N
• XLogP: 4.99
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 67481012) is N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide is CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NS(=O)(=O)c3ccccc3C(F)(F)F)CC[C@@H]12.

What is the InChIKey of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?

The InChIKey is XMRSJWDCZBYUFO-KUVSFDERSA-N. The full InChI is InChI=1S/C26H33F3N2O3S/c1-24-14-12-18-16(8-11-22-25(18,2)15-13-23(32)31(22)3)17(24)9-10-21(24)30-35(33,34)20-7-5-4-6-19(20)26(27,28)29/h4-7,13,15-18,21-22,30H,8-12,14H2,1-3H3/t16-,17-,18+,21?,22?,24-,25+/m0/s1.

What are the key properties of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?

N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 510.62 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67481012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).