1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

C18H15F2NO4S — CID 90618769

IUPAC1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)c2ccccc21
InChIInChI=1S/C18H15F2NO4S/c19-15-7-6-12(10-16(15)20)26(23,24)21-9-3-8-18(11-21)14-5-2-1-4-13(14)17(22)25-18/h1-2,4-7,10H,3,8-9,11H2
InChIKeyIERYJILLCVZGIV-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.82
Rot. Bonds2

About 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618769) has the molecular formula C18H15F2NO4S and a molecular weight of 379.38 g/mol. Its IUPAC name is 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618769
Molecular FormulaC18H15F2NO4S
Molecular Weight379.38 g/mol
Exact Mass379.07
IUPAC Name1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)c2ccccc21
InChIInChI=1S/C18H15F2NO4S/c19-15-7-6-12(10-16(15)20)26(23,24)21-9-3-8-18(11-21)14-5-2-1-4-13(14)17(22)25-18/h1-2,4-7,10H,3,8-9,11H2
InChIKeyIERYJILLCVZGIV-UHFFFAOYSA-N
XLogP2.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one 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

(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883028
(3S)-1'-(2,4-dichloro-5-methylphenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99903426
1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618742
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142477
(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482135
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
1'-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618417
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
1'-(4-ethoxy-3-methylphenyl)sulfonylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618382
3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide
CID 90618532
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434

Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618769) is 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)c2ccccc21.
What is the InChIKey of 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is IERYJILLCVZGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4S/c19-15-7-6-12(10-16(15)20)26(23,24)21-9-3-8-18(11-21)14-5-2-1-4-13(14)17(22)25-18/h1-2,4-7,10H,3,8-9,11H2.
What are the key properties of 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 379.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).