6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

C21H22ClNO5S — CID 108781880

IUPAC6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)cc1
InChIInChI=1S/C21H22ClNO5S/c1-2-27-16-4-6-17(7-5-16)29(25,26)23-11-9-21(10-12-23)14-19(24)18-13-15(22)3-8-20(18)28-21/h3-8,13H,2,9-12,14H2,1H3
InChIKeyMLAYTZMJXOWSRJ-UHFFFAOYSA-N
MW435.93 g/mol
LogP3.93
Rot. Bonds4

About 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108781880) has the molecular formula C21H22ClNO5S and a molecular weight of 435.93 g/mol. Its IUPAC name is 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108781880
Molecular FormulaC21H22ClNO5S
Molecular Weight435.93 g/mol
Exact Mass435.09
IUPAC Name6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)cc1
InChIInChI=1S/C21H22ClNO5S/c1-2-27-16-4-6-17(7-5-16)29(25,26)23-11-9-21(10-12-23)14-19(24)18-13-15(22)3-8-20(18)28-21/h3-8,13H,2,9-12,14H2,1H3
InChIKeyMLAYTZMJXOWSRJ-UHFFFAOYSA-N
XLogP3.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1'-[2-(4-propylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758375
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122
6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108780267
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355035
6-tert-butyl-1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759470
6-tert-butyl-1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759436
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586336
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108781880) is 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is CCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)cc1.
What is the InChIKey of 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is MLAYTZMJXOWSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO5S/c1-2-27-16-4-6-17(7-5-16)29(25,26)23-11-9-21(10-12-23)14-19(24)18-13-15(22)3-8-20(18)28-21/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 435.93 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108781880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).