[8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone

C21H22Cl2N2O4S2 — CID 3273614

About [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone

[8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 3273614) has the molecular formula C21H22Cl2N2O4S2 and a molecular weight of 501.46 g/mol. Its IUPAC name is [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

• Compound Name: [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
• PubChem CID: 3273614
• Molecular Formula: C21H22Cl2N2O4S2
• Molecular Weight: 501.46 g/mol
• Exact Mass: 500.04
• IUPAC Name: [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
• SMILES: COc1ccc(C(=O)N2CCSC23CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC3)cc1
• InChI: InChI=1S/C21H22Cl2N2O4S2/c1-29-17-5-2-15(3-6-17)20(26)25-12-13-30-21(25)8-10-24(11-9-21)31(27,28)19-14-16(22)4-7-18(19)23/h2-7,14H,8-13H2,1H3
• InChIKey: CXFNZIQAIRJNGI-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.46
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?

The IUPAC name of [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone (CID 3273614) is [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone.

What is the SMILES notation for [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?

The canonical SMILES for [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCSC23CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC3)cc1.

What is the InChIKey of [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?

The InChIKey is CXFNZIQAIRJNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4S2/c1-29-17-5-2-15(3-6-17)20(26)25-12-13-30-21(25)8-10-24(11-9-21)31(27,28)19-14-16(22)4-7-18(19)23/h2-7,14H,8-13H2,1H3.

What are the key properties of [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?

[8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 501.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3273614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).