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

C20H21FN2O3S — CID 118169163

IUPAC4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C20H21FN2O3S/c1-12(2)16-10-14(23-27(25,26)15-6-4-13(21)5-7-15)11-17-18(16)22-19(24)20(17)8-3-9-20/h4-7,10-12,23H,3,8-9H2,1-2H3,(H,22,24)
InChIKeyRYRAKRUNXJTNLZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.12
Rot. Bonds4

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

4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (PubChem CID 118169163) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
PubChem CID118169163
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C20H21FN2O3S/c1-12(2)16-10-14(23-27(25,26)15-6-4-13(21)5-7-15)11-17-18(16)22-19(24)20(17)8-3-9-20/h4-7,10-12,23H,3,8-9H2,1-2H3,(H,22,24)
InChIKeyRYRAKRUNXJTNLZ-UHFFFAOYSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (CID 118169163) is 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is CC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc2c1NC(=O)C21CCC1.
What is the InChIKey of 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The InChIKey is RYRAKRUNXJTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-12(2)16-10-14(23-27(25,26)15-6-4-13(21)5-7-15)11-17-18(16)22-19(24)20(17)8-3-9-20/h4-7,10-12,23H,3,8-9H2,1-2H3,(H,22,24).
What are the key properties of 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 118169163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).