1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide

C24H20F4N4O3S — CID 178151930

About 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide

1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 178151930) has the molecular formula C24H20F4N4O3S and a molecular weight of 520.51 g/mol. Its IUPAC name is 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 178151930
• Molecular Formula: C24H20F4N4O3S
• Molecular Weight: 520.51 g/mol
• Exact Mass: 520.12
• IUPAC Name: 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide
• SMILES: CC1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1CN(c2ccc(-c3cnccc3F)c(F)c2F)C1
• InChI: InChI=1S/C24H20F4N4O3S/c1-12-6-13-7-18(26)21(36(29,34)35)8-20(13)32(12)24(33)14-10-31(11-14)19-3-2-15(22(27)23(19)28)16-9-30-5-4-17(16)25/h2-5,7-9,12,14H,6,10-11H2,1H3,(H2,29,34,35)
• InChIKey: LHSSYKPDBCWWFM-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide?

The IUPAC name of 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide (CID 178151930) is 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide.

What is the SMILES notation for 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide?

The canonical SMILES for 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide is CC1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1CN(c2ccc(-c3cnccc3F)c(F)c2F)C1.

What is the InChIKey of 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide?

The InChIKey is LHSSYKPDBCWWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O3S/c1-12-6-13-7-18(26)21(36(29,34)35)8-20(13)32(12)24(33)14-10-31(11-14)19-3-2-15(22(27)23(19)28)16-9-30-5-4-17(16)25/h2-5,7-9,12,14H,6,10-11H2,1H3,(H2,29,34,35).

What are the key properties of 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide?

1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 520.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,3-difluoro-4-(4-fluoro-3-pyridinyl)phenyl]azetidine-3-carbonyl]-5-fluoro-2-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 178151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).