2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide

C25H22F2N2O3S — CID 118169099

IUPAC2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESO=C1Nc2c(CCc3ccccc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C25H22F2N2O3S/c26-18-9-10-22(21(27)14-18)33(31,32)29-19-13-17(8-7-16-5-2-1-3-6-16)23-20(15-19)25(11-4-12-25)24(30)28-23/h1-3,5-6,9-10,13-15,29H,4,7-8,11-12H2,(H,28,30)
InChIKeySUZLXURLPRBKIA-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.92
Rot. Bonds6

About 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide

2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide (PubChem CID 118169099) has the molecular formula C25H22F2N2O3S and a molecular weight of 468.53 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
PubChem CID118169099
Molecular FormulaC25H22F2N2O3S
Molecular Weight468.53 g/mol
Exact Mass468.13
IUPAC Name2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESO=C1Nc2c(CCc3ccccc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C25H22F2N2O3S/c26-18-9-10-22(21(27)14-18)33(31,32)29-19-13-17(8-7-16-5-2-1-3-6-16)23-20(15-19)25(11-4-12-25)24(30)28-23/h1-3,5-6,9-10,13-15,29H,4,7-8,11-12H2,(H,28,30)
InChIKeySUZLXURLPRBKIA-UHFFFAOYSA-N
XLogP4.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide (CID 118169099) is 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide is O=C1Nc2c(CCc3ccccc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The InChIKey is SUZLXURLPRBKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3S/c26-18-9-10-22(21(27)14-18)33(31,32)29-19-13-17(8-7-16-5-2-1-3-6-16)23-20(15-19)25(11-4-12-25)24(30)28-23/h1-3,5-6,9-10,13-15,29H,4,7-8,11-12H2,(H,28,30).
What are the key properties of 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide has a molecular weight of 468.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-7-(2-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide is sourced from PubChem (CID 118169099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).