5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C23H19BrFN3O4S — CID 58132469

About 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132469) has the molecular formula C23H19BrFN3O4S and a molecular weight of 532.39 g/mol. Its IUPAC name is 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• PubChem CID: 58132469
• Molecular Formula: C23H19BrFN3O4S
• Molecular Weight: 532.39 g/mol
• Exact Mass: 531.03
• IUPAC Name: 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
• SMILES: CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1ccccc1F
• InChI: InChI=1S/C23H19BrFN3O4S/c1-2-33(31,32)27-23(30)21-20(16-7-5-11-26-22(16)29)17-12-15(24)9-10-19(17)28(21)13-14-6-3-4-8-18(14)25/h3-12H,2,13H2,1H3,(H,26,29)(H,27,30)
• InChIKey: NRFDHKIFNSKUFL-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 101.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.39
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The IUPAC name of 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132469) is 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

What is the SMILES notation for 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The canonical SMILES for 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1ccccc1F.

What is the InChIKey of 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

The InChIKey is NRFDHKIFNSKUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O4S/c1-2-33(31,32)27-23(30)21-20(16-7-5-11-26-22(16)29)17-12-15(24)9-10-19(17)28(21)13-14-6-3-4-8-18(14)25/h3-12H,2,13H2,1H3,(H,26,29)(H,27,30).

What are the key properties of 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?

5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 532.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).