6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C23H22BrF3N4O2S — CID 66730892

About 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66730892) has the molecular formula C23H22BrF3N4O2S and a molecular weight of 555.42 g/mol. Its IUPAC name is 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 66730892
• Molecular Formula: C23H22BrF3N4O2S
• Molecular Weight: 555.42 g/mol
• Exact Mass: 554.06
• IUPAC Name: 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: Cc1cc2c(cc1Br)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1
• InChI: InChI=1S/C23H22BrF3N4O2S/c1-13-9-21-17(10-19(13)24)18(11-28)22(31(21)15-5-3-4-6-15)20-8-7-16(12-29-20)34(32,33)30-14(2)23(25,26)27/h7-10,12,14-15,30H,3-6H2,1-2H3/t14-/m1/s1
• InChIKey: WFOINAOPVIHOSC-CQSZACIVSA-N
• XLogP: 5.99
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.42
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66730892) is 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cc2c(cc1Br)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.

What is the InChIKey of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is WFOINAOPVIHOSC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22BrF3N4O2S/c1-13-9-21-17(10-19(13)24)18(11-28)22(31(21)15-5-3-4-6-15)20-8-7-16(12-29-20)34(32,33)30-14(2)23(25,26)27/h7-10,12,14-15,30H,3-6H2,1-2H3/t14-/m1/s1.

What are the key properties of 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 555.42 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-bromo-3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).