8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C17H19ClN2O5S3 — CID 18577943

IUPAC8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C17H19ClN2O5S3/c18-14-3-5-15(6-4-14)27(21,22)19-9-7-17(8-10-19)20(11-12-25-17)28(23,24)16-2-1-13-26-16/h1-6,13H,7-12H2
InChIKeyLPJQKTWSPBSDSL-UHFFFAOYSA-N
MW463.00 g/mol
LogP2.60
Rot. Bonds4

About 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 18577943) has the molecular formula C17H19ClN2O5S3 and a molecular weight of 463.00 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID18577943
Molecular FormulaC17H19ClN2O5S3
Molecular Weight463.00 g/mol
Exact Mass462.01
IUPAC Name8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C17H19ClN2O5S3/c18-14-3-5-15(6-4-14)27(21,22)19-9-7-17(8-10-19)20(11-12-25-17)28(23,24)16-2-1-13-26-16/h1-6,13H,7-12H2
InChIKeyLPJQKTWSPBSDSL-UHFFFAOYSA-N
XLogP2.60
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 18577943) is 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is LPJQKTWSPBSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S3/c18-14-3-5-15(6-4-14)27(21,22)19-9-7-17(8-10-19)20(11-12-25-17)28(23,24)16-2-1-13-26-16/h1-6,13H,7-12H2.
What are the key properties of 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 463.00 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 18577943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).