(2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C25H24FN3O3S — CID 170335992

About (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

(2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335992) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170335992
• Molecular Formula: C25H24FN3O3S
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.15
• IUPAC Name: (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: C[C@@H]1c2cc(F)c(S(N)(=O)=O)cc2N(C(=O)[C@@H]2Cc3ccc(-c4ccccn4)cc3C2)[C@H]1C
• InChI: InChI=1S/C25H24FN3O3S/c1-14-15(2)29(23-13-24(33(27,31)32)21(26)12-20(14)23)25(30)19-9-16-6-7-17(10-18(16)11-19)22-5-3-4-8-28-22/h3-8,10,12-15,19H,9,11H2,1-2H3,(H2,27,31,32)/t14-,15-,19+/m0/s1
• InChIKey: YLHZXNQFLBPTRR-YZVOILCLSA-N
• XLogP: 3.79
• TPSA: 93.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The IUPAC name of (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335992) is (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

What is the SMILES notation for (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The canonical SMILES for (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is C[C@@H]1c2cc(F)c(S(N)(=O)=O)cc2N(C(=O)[C@@H]2Cc3ccc(-c4ccccn4)cc3C2)[C@H]1C.

What is the InChIKey of (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The InChIKey is YLHZXNQFLBPTRR-YZVOILCLSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-14-15(2)29(23-13-24(33(27,31)32)21(26)12-20(14)23)25(30)19-9-16-6-7-17(10-18(16)11-19)22-5-3-4-8-28-22/h3-8,10,12-15,19H,9,11H2,1-2H3,(H2,27,31,32)/t14-,15-,19+/m0/s1.

What are the key properties of (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

(2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 465.55 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).