4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide

C26H21BrN4O3S — CID 155168771

About 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide

4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide (PubChem CID 155168771) has the molecular formula C26H21BrN4O3S and a molecular weight of 549.45 g/mol. Its IUPAC name is 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide
• PubChem CID: 155168771
• Molecular Formula: C26H21BrN4O3S
• Molecular Weight: 549.45 g/mol
• Exact Mass: 548.05
• IUPAC Name: 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide
• SMILES: O=C(C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1)n1ccc(-c2ccccc2)n1
• InChI: InChI=1S/C26H21BrN4O3S/c27-20-10-12-21(13-11-20)35(33,34)30-25(16-19-17-28-24-9-5-4-8-22(19)24)26(32)31-15-14-23(29-31)18-6-2-1-3-7-18/h1-15,17,25,28,30H,16H2
• InChIKey: UQEUZSTYFUHBGT-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 96.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.45
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide?

The IUPAC name of 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide (CID 155168771) is 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide is O=C(C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1)n1ccc(-c2ccccc2)n1.

What is the InChIKey of 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide?

The InChIKey is UQEUZSTYFUHBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN4O3S/c27-20-10-12-21(13-11-20)35(33,34)30-25(16-19-17-28-24-9-5-4-8-22(19)24)26(32)31-15-14-23(29-31)18-6-2-1-3-7-18/h1-15,17,25,28,30H,16H2.

What are the key properties of 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide?

4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 549.45 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 155168771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).