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

C20H20F2N2O3S — CID 118169197

IUPAC2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C20H20F2N2O3S/c1-11(2)14-9-13(10-15-18(14)23-19(25)20(15)6-3-7-20)24-28(26,27)17-5-4-12(21)8-16(17)22/h4-5,8-11,24H,3,6-7H2,1-2H3,(H,23,25)
InChIKeyLIDUFWHVTLWZLH-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.26
Rot. Bonds4

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

2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (PubChem CID 118169197) has the molecular formula C20H20F2N2O3S and a molecular weight of 406.45 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
PubChem CID118169197
Molecular FormulaC20H20F2N2O3S
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C20H20F2N2O3S/c1-11(2)14-9-13(10-15-18(14)23-19(25)20(15)6-3-7-20)24-28(26,27)17-5-4-12(21)8-16(17)22/h4-5,8-11,24H,3,6-7H2,1-2H3,(H,23,25)
InChIKeyLIDUFWHVTLWZLH-UHFFFAOYSA-N
XLogP4.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.26
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-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (CID 118169197) is 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is CC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1.
What is the InChIKey of 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The InChIKey is LIDUFWHVTLWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3S/c1-11(2)14-9-13(10-15-18(14)23-19(25)20(15)6-3-7-20)24-28(26,27)17-5-4-12(21)8-16(17)22/h4-5,8-11,24H,3,6-7H2,1-2H3,(H,23,25).
What are the key properties of 2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
2,4-difluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide has a molecular weight of 406.45 g/mol, XLogP of 4.26, 4 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-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 118169197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).