1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C17H17Cl2NO3S2 — CID 134817083

IUPAC1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H17Cl2NO3S2/c18-13-1-2-15(14(19)11-13)25(21,22)20-7-5-17(6-8-20)16-12(3-9-23-17)4-10-24-16/h1-2,4,10-11H,3,5-9H2
InChIKeySFUTWGQENIPTPA-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.31
Rot. Bonds2

About 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134817083) has the molecular formula C17H17Cl2NO3S2 and a molecular weight of 418.37 g/mol. Its IUPAC name is 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134817083
Molecular FormulaC17H17Cl2NO3S2
Molecular Weight418.37 g/mol
Exact Mass417.00
IUPAC Name1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H17Cl2NO3S2/c18-13-1-2-15(14(19)11-13)25(21,22)20-7-5-17(6-8-20)16-12(3-9-23-17)4-10-24-16/h1-2,4,10-11H,3,5-9H2
InChIKeySFUTWGQENIPTPA-UHFFFAOYSA-N
XLogP4.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134817083) is 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is SFUTWGQENIPTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S2/c18-13-1-2-15(14(19)11-13)25(21,22)20-7-5-17(6-8-20)16-12(3-9-23-17)4-10-24-16/h1-2,4,10-11H,3,5-9H2.
What are the key properties of 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 418.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,4-dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134817083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).