2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride

C11H10ClNO3S — CID 83853467

IUPAC2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
SMILESO=C1Nc2ccc(S(=O)(=O)Cl)cc2C12CCC2
InChIInChI=1S/C11H10ClNO3S/c12-17(15,16)7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyAMDDXRZDTSJGJD-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.99
Rot. Bonds1

About 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride

2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride (PubChem CID 83853467) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride.

Molecular Properties

Compound Name2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
PubChem CID83853467
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
SMILESO=C1Nc2ccc(S(=O)(=O)Cl)cc2C12CCC2
InChIInChI=1S/C11H10ClNO3S/c12-17(15,16)7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyAMDDXRZDTSJGJD-UHFFFAOYSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride?
The IUPAC name of 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride (CID 83853467) is 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride.
What is the SMILES notation for 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride?
The canonical SMILES for 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride is O=C1Nc2ccc(S(=O)(=O)Cl)cc2C12CCC2.
What is the InChIKey of 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride?
The InChIKey is AMDDXRZDTSJGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-17(15,16)7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride?
2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride has a molecular weight of 271.72 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride is sourced from PubChem (CID 83853467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).