2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol

C18H17Cl2NO4S — CID 146604362

IUPAC2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C18H17Cl2NO4S/c19-12-9-14(20)17(22)16(10-12)26(23,24)21-11-18(5-7-25-8-6-18)13-3-1-2-4-15(13)21/h1-4,9-10,22H,5-8,11H2
InChIKeyKHIMPDLOBKGGHE-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.96
Rot. Bonds2

About 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol

2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol (PubChem CID 146604362) has the molecular formula C18H17Cl2NO4S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
PubChem CID146604362
Molecular FormulaC18H17Cl2NO4S
Molecular Weight414.31 g/mol
Exact Mass413.03
IUPAC Name2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C18H17Cl2NO4S/c19-12-9-14(20)17(22)16(10-12)26(23,24)21-11-18(5-7-25-8-6-18)13-3-1-2-4-15(13)21/h1-4,9-10,22H,5-8,11H2
InChIKeyKHIMPDLOBKGGHE-UHFFFAOYSA-N
XLogP3.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol?
The IUPAC name of 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol (CID 146604362) is 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol.
What is the SMILES notation for 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol?
The canonical SMILES for 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol?
The InChIKey is KHIMPDLOBKGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4S/c19-12-9-14(20)17(22)16(10-12)26(23,24)21-11-18(5-7-25-8-6-18)13-3-1-2-4-15(13)21/h1-4,9-10,22H,5-8,11H2.
What are the key properties of 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol?
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol has a molecular weight of 414.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol is sourced from PubChem (CID 146604362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).