6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C22H24ClNO5S — CID 108781901

IUPAC6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)c(C)cc1O2
InChIInChI=1S/C22H24ClNO5S/c1-14-4-5-19(28-3)21(10-14)30(26,27)24-8-6-22(7-9-24)13-18(25)16-12-17(23)15(2)11-20(16)29-22/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyLTBYNOSNEPLNGX-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.15
Rot. Bonds3

About 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108781901) has the molecular formula C22H24ClNO5S and a molecular weight of 449.96 g/mol. Its IUPAC name is 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108781901
Molecular FormulaC22H24ClNO5S
Molecular Weight449.96 g/mol
Exact Mass449.11
IUPAC Name6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)c(C)cc1O2
InChIInChI=1S/C22H24ClNO5S/c1-14-4-5-19(28-3)21(10-14)30(26,27)24-8-6-22(7-9-24)13-18(25)16-12-17(23)15(2)11-20(16)29-22/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyLTBYNOSNEPLNGX-UHFFFAOYSA-N
XLogP4.15
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-(2-methoxy-5-methylphenyl)sulfonyl-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781825
1'-(3-bromo-4-methoxyphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759048
6-chloro-1'-(3,4-dimethoxybenzoyl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758412
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
6-bromo-1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760439
7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100758998
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
6-chloro-7-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735285
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
6-chloro-7-methyl-1'-(pyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735231

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108781901) is 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)c(C)cc1O2.
What is the InChIKey of 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LTBYNOSNEPLNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO5S/c1-14-4-5-19(28-3)21(10-14)30(26,27)24-8-6-22(7-9-24)13-18(25)16-12-17(23)15(2)11-20(16)29-22/h4-5,10-12H,6-9,13H2,1-3H3.
What are the key properties of 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 449.96 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(2-methoxy-5-methylphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108781901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).