(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

C18H15ClFNO4S — CID 99883028

IUPAC(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21
InChIInChI=1S/C18H15ClFNO4S/c19-15-10-12(6-7-16(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/t18-/m0/s1
InChIKeyJKISWIBDIZOHSR-SFHVURJKSA-N
MW395.84 g/mol
LogP3.33
Rot. Bonds2

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

(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99883028) has the molecular formula C18H15ClFNO4S and a molecular weight of 395.84 g/mol. Its IUPAC name is (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99883028
Molecular FormulaC18H15ClFNO4S
Molecular Weight395.84 g/mol
Exact Mass395.04
IUPAC Name(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21
InChIInChI=1S/C18H15ClFNO4S/c19-15-10-12(6-7-16(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/t18-/m0/s1
InChIKeyJKISWIBDIZOHSR-SFHVURJKSA-N
XLogP3.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618769
(3S)-1'-(2,4-dichloro-5-methylphenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99903426
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355035
1'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142477
(4R,5S)-7-(3-chloro-4-fluorophenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol
CID 135101982
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
1'-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618417
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99883028) is (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1O[C@]2(CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is JKISWIBDIZOHSR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15ClFNO4S/c19-15-10-12(6-7-16(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/t18-/m0/s1.
What are the key properties of (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 395.84 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99883028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).