1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

C21H28N4O3S — CID 51596357

About 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 51596357) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 51596357
• Molecular Formula: C21H28N4O3S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.19
• IUPAC Name: 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
• SMILES: Cc1nn([C@@H](C)CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1C
• InChI: InChI=1S/C21H28N4O3S/c1-13(25-16(4)14(2)15(3)23-25)12-22-29(27,28)19-7-8-20-18(11-19)9-10-24(20)21(26)17-5-6-17/h7-8,11,13,17,22H,5-6,9-10,12H2,1-4H3/t13-/m0/s1
• InChIKey: ZSSYEUOXJYMCAK-ZDUSSCGKSA-N
• XLogP: 2.65
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (CID 51596357) is 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is Cc1nn([C@@H](C)CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1C.

What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?

The InChIKey is ZSSYEUOXJYMCAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-13(25-16(4)14(2)15(3)23-25)12-22-29(27,28)19-7-8-20-18(11-19)9-10-24(20)21(26)17-5-6-17/h7-8,11,13,17,22H,5-6,9-10,12H2,1-4H3/t13-/m0/s1.

What are the key properties of 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?

1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 416.55 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51596357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).