2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C18H16Br2F3N3O2S — CID 57473916

About 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide

2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 57473916) has the molecular formula C18H16Br2F3N3O2S and a molecular weight of 555.21 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
• PubChem CID: 57473916
• Molecular Formula: C18H16Br2F3N3O2S
• Molecular Weight: 555.21 g/mol
• Exact Mass: 552.93
• IUPAC Name: 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
• SMILES: Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(N)cc(Br)cc3Br)C(F)(F)F)c2c1
• InChI: InChI=1S/C18H16Br2F3N3O2S/c1-9-2-3-15-12(4-9)10(8-25-15)5-16(18(21,22)23)26-29(27,28)17-13(20)6-11(19)7-14(17)24/h2-4,6-8,16,25-26H,5,24H2,1H3
• InChIKey: ZLFZFPFMSVEHJM-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 87.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.21
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?

The IUPAC name of 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 57473916) is 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

What is the SMILES notation for 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?

The canonical SMILES for 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(N)cc(Br)cc3Br)C(F)(F)F)c2c1.

What is the InChIKey of 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?

The InChIKey is ZLFZFPFMSVEHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2F3N3O2S/c1-9-2-3-15-12(4-9)10(8-25-15)5-16(18(21,22)23)26-29(27,28)17-13(20)6-11(19)7-14(17)24/h2-4,6-8,16,25-26H,5,24H2,1H3.

What are the key properties of 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?

2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 555.21 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 57473916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).