8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C20H21ClN2O3S2 — CID 46113248

IUPAC8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1
InChIInChI=1S/C20H21ClN2O3S2/c1-15-3-2-4-17(13-15)23-19(24)14-27-20(23)9-11-22(12-10-20)28(25,26)18-7-5-16(21)6-8-18/h2-8,13H,9-12,14H2,1H3
InChIKeyRBIYZCIWXCRHSG-UHFFFAOYSA-N
MW436.99 g/mol
LogP3.91
Rot. Bonds3

About 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46113248) has the molecular formula C20H21ClN2O3S2 and a molecular weight of 436.99 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46113248
Molecular FormulaC20H21ClN2O3S2
Molecular Weight436.99 g/mol
Exact Mass436.07
IUPAC Name8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1
InChIInChI=1S/C20H21ClN2O3S2/c1-15-3-2-4-17(13-15)23-19(24)14-27-20(23)9-11-22(12-10-20)28(25,26)18-7-5-16(21)6-8-18/h2-8,13H,9-12,14H2,1H3
InChIKeyRBIYZCIWXCRHSG-UHFFFAOYSA-N
XLogP3.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-4-(3-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113142
8-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113265
8-(3-chlorobenzoyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113011
1-(4-chlorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 4755642
[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone
CID 3959670
4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112830
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
4-(4-chlorophenyl)-N-(2-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113074
1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 3152134
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46113248) is 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is Cc1cccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1.
What is the InChIKey of 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RBIYZCIWXCRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S2/c1-15-3-2-4-17(13-15)23-19(24)14-27-20(23)9-11-22(12-10-20)28(25,26)18-7-5-16(21)6-8-18/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 436.99 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfonyl-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46113248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).