(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C18H15ClFNO4S — CID 97355035

IUPAC(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@]2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)Oc2ccccc21
InChIInChI=1S/C18H15ClFNO4S/c19-14-9-12(5-6-15(14)20)26(23,24)21-8-7-18(11-21)10-16(22)13-3-1-2-4-17(13)25-18/h1-6,9H,7-8,10-11H2/t18-/m0/s1
InChIKeyXCDWIXHHDNJSSD-SFHVURJKSA-N
MW395.84 g/mol
LogP3.28
Rot. Bonds2

About (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 97355035) has the molecular formula C18H15ClFNO4S and a molecular weight of 395.84 g/mol. Its IUPAC name is (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID97355035
Molecular FormulaC18H15ClFNO4S
Molecular Weight395.84 g/mol
Exact Mass395.04
IUPAC Name(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@]2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)Oc2ccccc21
InChIInChI=1S/C18H15ClFNO4S/c19-14-9-12(5-6-15(14)20)26(23,24)21-8-7-18(11-21)10-16(22)13-3-1-2-4-17(13)25-18/h1-6,9H,7-8,10-11H2/t18-/m0/s1
InChIKeyXCDWIXHHDNJSSD-SFHVURJKSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586030
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355023
1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586336
1'-(2,3,4,5,6-pentamethylphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586051
(3R)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883028
1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586016
6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781880
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
6-bromo-1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760439
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108780267

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 97355035) is (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1C[C@]2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)Oc2ccccc21.
What is the InChIKey of (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is XCDWIXHHDNJSSD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15ClFNO4S/c19-14-9-12(5-6-15(14)20)26(23,24)21-8-7-18(11-21)10-16(22)13-3-1-2-4-17(13)25-18/h1-6,9H,7-8,10-11H2/t18-/m0/s1.
What are the key properties of (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 395.84 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 97355035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).