2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide

C26H23F2NO4S — CID 158773527

IUPAC2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3F)c3c(c2)C2(CCC2)C(=O)C3)c(F)c1
InChIInChI=1S/C26H23F2NO4S/c1-33-19-7-8-24(23(28)14-19)34(31,32)29-18-12-17(11-16-5-2-3-6-22(16)27)20-15-25(30)26(9-4-10-26)21(20)13-18/h2-3,5-8,12-14,29H,4,9-11,15H2,1H3
InChIKeyIQEHKPVWQCHDJN-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.91
Rot. Bonds6

About 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide

2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide (PubChem CID 158773527) has the molecular formula C26H23F2NO4S and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide
PubChem CID158773527
Molecular FormulaC26H23F2NO4S
Molecular Weight483.54 g/mol
Exact Mass483.13
IUPAC Name2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3F)c3c(c2)C2(CCC2)C(=O)C3)c(F)c1
InChIInChI=1S/C26H23F2NO4S/c1-33-19-7-8-24(23(28)14-19)34(31,32)29-18-12-17(11-16-5-2-3-6-22(16)27)20-15-25(30)26(9-4-10-26)21(20)13-18/h2-3,5-8,12-14,29H,4,9-11,15H2,1H3
InChIKeyIQEHKPVWQCHDJN-UHFFFAOYSA-N
XLogP4.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide (CID 158773527) is 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3F)c3c(c2)C2(CCC2)C(=O)C3)c(F)c1.
What is the InChIKey of 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide?
The InChIKey is IQEHKPVWQCHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO4S/c1-33-19-7-8-24(23(28)14-19)34(31,32)29-18-12-17(11-16-5-2-3-6-22(16)27)20-15-25(30)26(9-4-10-26)21(20)13-18/h2-3,5-8,12-14,29H,4,9-11,15H2,1H3.
What are the key properties of 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide?
2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide has a molecular weight of 483.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 158773527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).