N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide

C23H27F2N3O3S — CID 89344177

About N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide

N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide (PubChem CID 89344177) has the molecular formula C23H27F2N3O3S and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
• PubChem CID: 89344177
• Molecular Formula: C23H27F2N3O3S
• Molecular Weight: 463.55 g/mol
• Exact Mass: 463.17
• IUPAC Name: N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OCC(F)F)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C23H27F2N3O3S/c1-2-12-32(29,30)27-16-8-6-15(7-9-16)23-22(26)19-11-10-18(31-14-21(24)25)13-20(19)28(23)17-4-3-5-17/h6-11,13,17,21,27H,2-5,12,14,26H2,1H3
• InChIKey: TWCQVLAULDHUJP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 86.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.55
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide (CID 89344177) is N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OCC(F)F)cc3n2C2CCC2)cc1.

What is the InChIKey of N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide?

The InChIKey is TWCQVLAULDHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3S/c1-2-12-32(29,30)27-16-8-6-15(7-9-16)23-22(26)19-11-10-18(31-14-21(24)25)13-20(19)28(23)17-4-3-5-17/h6-11,13,17,21,27H,2-5,12,14,26H2,1H3.

What are the key properties of N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide?

N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide has a molecular weight of 463.55 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 89344177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).