2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

C26H24FN3O4S — CID 154836262

About 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 154836262) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
• PubChem CID: 154836262
• Molecular Formula: C26H24FN3O4S
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.15
• IUPAC Name: 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
• SMILES: CC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc3C2C(N)=O)c1
• InChI: InChI=1S/C26H24FN3O4S/c1-16-14-18-7-3-5-9-23(18)30(16)35(33,34)19-10-11-22(27)21(15-19)26(32)29-13-12-17-6-2-4-8-20(17)24(29)25(28)31/h2-11,15-16,24H,12-14H2,1H3,(H2,28,31)
• InChIKey: OOOXBBXTRWPPIA-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 100.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?

The IUPAC name of 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 154836262) is 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.

What is the SMILES notation for 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?

The canonical SMILES for 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc3C2C(N)=O)c1.

What is the InChIKey of 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?

The InChIKey is OOOXBBXTRWPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-16-14-18-7-3-5-9-23(18)30(16)35(33,34)19-10-11-22(27)21(15-19)26(32)29-13-12-17-6-2-4-8-20(17)24(29)25(28)31/h2-11,15-16,24H,12-14H2,1H3,(H2,28,31).

What are the key properties of 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?

2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 154836262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).