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

C24H26F2N2O3S — CID 158532662

IUPACN-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide
SMILESO=C1Cc2c(NC3CCCCC3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C24H26F2N2O3S/c25-15-7-8-22(20(26)11-15)32(30,31)28-17-12-19-18(14-23(29)24(19)9-4-10-24)21(13-17)27-16-5-2-1-3-6-16/h7-8,11-13,16,27-28H,1-6,9-10,14H2
InChIKeyHNOFTFLCVRTFQT-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.06
Rot. Bonds5

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

N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 158532662) has the molecular formula C24H26F2N2O3S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide
PubChem CID158532662
Molecular FormulaC24H26F2N2O3S
Molecular Weight460.55 g/mol
Exact Mass460.16
IUPAC NameN-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide
SMILESO=C1Cc2c(NC3CCCCC3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C24H26F2N2O3S/c25-15-7-8-22(20(26)11-15)32(30,31)28-17-12-19-18(14-23(29)24(19)9-4-10-24)21(13-17)27-16-5-2-1-3-6-16/h7-8,11-13,16,27-28H,1-6,9-10,14H2
InChIKeyHNOFTFLCVRTFQT-UHFFFAOYSA-N
XLogP5.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide (CID 158532662) is N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide is O=C1Cc2c(NC3CCCCC3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2.
What is the InChIKey of N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is HNOFTFLCVRTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3S/c25-15-7-8-22(20(26)11-15)32(30,31)28-17-12-19-18(14-23(29)24(19)9-4-10-24)21(13-17)27-16-5-2-1-3-6-16/h7-8,11-13,16,27-28H,1-6,9-10,14H2.
What are the key properties of N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide?
N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 460.55 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(cyclohexylamino)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 158532662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).