6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C22H21F3N4O2S — CID 66731032

About 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66731032) has the molecular formula C22H21F3N4O2S and a molecular weight of 462.50 g/mol. Its IUPAC name is 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 66731032
• Molecular Formula: C22H21F3N4O2S
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.13
• IUPAC Name: 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2CC1CC1
• InChI: InChI=1S/C22H21F3N4O2S/c1-13-3-8-20-17(9-13)18(10-26)21(29(20)12-15-4-5-15)19-7-6-16(11-27-19)32(30,31)28-14(2)22(23,24)25/h3,6-9,11,14-15,28H,4-5,12H2,1-2H3/t14-/m0/s1
• InChIKey: SZPMJVYNKYEUHO-AWEZNQCLSA-N
• XLogP: 4.52
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66731032) is 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

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

The canonical SMILES for 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2CC1CC1.

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

The InChIKey is SZPMJVYNKYEUHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21F3N4O2S/c1-13-3-8-20-17(9-13)18(10-26)21(29(20)12-15-4-5-15)19-7-6-16(11-27-19)32(30,31)28-14(2)22(23,24)25/h3,6-9,11,14-15,28H,4-5,12H2,1-2H3/t14-/m0/s1.

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

6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 462.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-1-(cyclopropylmethyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66731032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).