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

C20H18F2N2O3S — CID 118169109

IUPACN-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
SMILESO=C1Nc2c(C3CC3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C20H18F2N2O3S/c21-12-4-5-17(16(22)8-12)28(26,27)24-13-9-14(11-2-3-11)18-15(10-13)20(6-1-7-20)19(25)23-18/h4-5,8-11,24H,1-3,6-7H2,(H,23,25)
InChIKeyPTGHMXDTAIHLSJ-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.02
Rot. Bonds4

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

N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 118169109) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
PubChem CID118169109
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
SMILESO=C1Nc2c(C3CC3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C20H18F2N2O3S/c21-12-4-5-17(16(22)8-12)28(26,27)24-13-9-14(11-2-3-11)18-15(10-13)20(6-1-7-20)19(25)23-18/h4-5,8-11,24H,1-3,6-7H2,(H,23,25)
InChIKeyPTGHMXDTAIHLSJ-UHFFFAOYSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide (CID 118169109) is N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide is O=C1Nc2c(C3CC3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2.
What is the InChIKey of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is PTGHMXDTAIHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c21-12-4-5-17(16(22)8-12)28(26,27)24-13-9-14(11-2-3-11)18-15(10-13)20(6-1-7-20)19(25)23-18/h4-5,8-11,24H,1-3,6-7H2,(H,23,25).
What are the key properties of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118169109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).