N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide

C24H20F2N2O3S — CID 118169119

IUPACN-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
SMILESO=C1Nc2c(Cc3ccccc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C24H20F2N2O3S/c25-17-7-8-21(20(26)13-17)32(30,31)28-18-12-16(11-15-5-2-1-3-6-15)22-19(14-18)24(9-4-10-24)23(29)27-22/h1-3,5-8,12-14,28H,4,9-11H2,(H,27,29)
InChIKeyVPPBTJLZRNTYCA-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.73
Rot. Bonds5

About N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide

N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 118169119) has the molecular formula C24H20F2N2O3S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
PubChem CID118169119
Molecular FormulaC24H20F2N2O3S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
SMILESO=C1Nc2c(Cc3ccccc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C24H20F2N2O3S/c25-17-7-8-21(20(26)13-17)32(30,31)28-18-12-16(11-15-5-2-1-3-6-15)22-19(14-18)24(9-4-10-24)23(29)27-22/h1-3,5-8,12-14,28H,4,9-11H2,(H,27,29)
InChIKeyVPPBTJLZRNTYCA-UHFFFAOYSA-N
XLogP4.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide (CID 118169119) is N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide is O=C1Nc2c(Cc3ccccc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2.
What is the InChIKey of N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is VPPBTJLZRNTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3S/c25-17-7-8-21(20(26)13-17)32(30,31)28-18-12-16(11-15-5-2-1-3-6-15)22-19(14-18)24(9-4-10-24)23(29)27-22/h1-3,5-8,12-14,28H,4,9-11H2,(H,27,29).
What are the key properties of N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 454.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118169119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).