4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol

C17H17NO3S — CID 10425845

IUPAC4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H17NO3S/c1-12(2)15-11-18-10-4-3-5-16(18)17(15)22(20,21)14-8-6-13(19)7-9-14/h3-12,19H,1-2H3
InChIKeyXZVULSQFWZMGQV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.60
Rot. Bonds3

About 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol

4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol (PubChem CID 10425845) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol
PubChem CID10425845
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H17NO3S/c1-12(2)15-11-18-10-4-3-5-16(18)17(15)22(20,21)14-8-6-13(19)7-9-14/h3-12,19H,1-2H3
InChIKeyXZVULSQFWZMGQV-UHFFFAOYSA-N
XLogP3.60
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol?
The IUPAC name of 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol (CID 10425845) is 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol.
What is the SMILES notation for 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol?
The canonical SMILES for 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol is CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol?
The InChIKey is XZVULSQFWZMGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12(2)15-11-18-10-4-3-5-16(18)17(15)22(20,21)14-8-6-13(19)7-9-14/h3-12,19H,1-2H3.
What are the key properties of 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol?
4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol has a molecular weight of 315.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylindolizin-1-yl)sulfonylphenol is sourced from PubChem (CID 10425845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).