3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide

C20H19ClN2O5S — CID 90618532

IUPAC3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide
SMILESO=C1OC2(CCCN(C(=O)CNS(=O)(=O)c3cccc(Cl)c3)C2)c2ccccc21
InChIInChI=1S/C20H19ClN2O5S/c21-14-5-3-6-15(11-14)29(26,27)22-12-18(24)23-10-4-9-20(13-23)17-8-2-1-7-16(17)19(25)28-20/h1-3,5-8,11,22H,4,9-10,12-13H2
InChIKeyNRVIYBMENWBOGE-UHFFFAOYSA-N
MW434.90 g/mol
LogP2.31
Rot. Bonds4

About 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide

3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide (PubChem CID 90618532) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide
PubChem CID90618532
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide
SMILESO=C1OC2(CCCN(C(=O)CNS(=O)(=O)c3cccc(Cl)c3)C2)c2ccccc21
InChIInChI=1S/C20H19ClN2O5S/c21-14-5-3-6-15(11-14)29(26,27)22-12-18(24)23-10-4-9-20(13-23)17-8-2-1-7-16(17)19(25)28-20/h1-3,5-8,11,22H,4,9-10,12-13H2
InChIKeyNRVIYBMENWBOGE-UHFFFAOYSA-N
XLogP2.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1'-[3-(2,6-dichlorophenyl)propanoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618560
1'-[3-(3,4-dichlorophenyl)propanoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618561
1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 73168203
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-(2-benzylsulfanylacetyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618497
2-[6-oxo-6-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)hexyl]isoindole-1,3-dione
CID 90618593
3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586133
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278
1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide (CID 90618532) is 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide is O=C1OC2(CCCN(C(=O)CNS(=O)(=O)c3cccc(Cl)c3)C2)c2ccccc21.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide?
The InChIKey is NRVIYBMENWBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c21-14-5-3-6-15(11-14)29(26,27)22-12-18(24)23-10-4-9-20(13-23)17-8-2-1-7-16(17)19(25)28-20/h1-3,5-8,11,22H,4,9-10,12-13H2.
What are the key properties of 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide?
3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide has a molecular weight of 434.90 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90618532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).