6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C20H19ClFNO4S — CID 108780267

IUPAC6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC2=O
InChIInChI=1S/C20H19ClFNO4S/c1-13-10-14(21)11-17-18(24)12-20(27-19(13)17)6-8-23(9-7-20)28(25,26)16-4-2-15(22)3-5-16/h2-5,10-11H,6-9,12H2,1H3
InChIKeyXABBNZAQONZLEY-UHFFFAOYSA-N
MW423.89 g/mol
LogP3.98
Rot. Bonds2

About 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108780267) has the molecular formula C20H19ClFNO4S and a molecular weight of 423.89 g/mol. Its IUPAC name is 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108780267
Molecular FormulaC20H19ClFNO4S
Molecular Weight423.89 g/mol
Exact Mass423.07
IUPAC Name6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC2=O
InChIInChI=1S/C20H19ClFNO4S/c1-13-10-14(21)11-17-18(24)12-20(27-19(13)17)6-8-23(9-7-20)28(25,26)16-4-2-15(22)3-5-16/h2-5,10-11H,6-9,12H2,1H3
InChIKeyXABBNZAQONZLEY-UHFFFAOYSA-N
XLogP3.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108780280
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663
1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726148
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781880
6-chloro-8-methyl-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750273
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
6-chloro-1'-(4-chloro-2-nitrobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726234
6-chloro-8-methyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750346
6-chloro-1'-(3-methoxybenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108780267) is 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(Cl)cc2c1OC1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC2=O.
What is the InChIKey of 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is XABBNZAQONZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO4S/c1-13-10-14(21)11-17-18(24)12-20(27-19(13)17)6-8-23(9-7-20)28(25,26)16-4-2-15(22)3-5-16/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 423.89 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108780267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).