2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol

C15H15ClO3S — CID 130312635

IUPAC2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO3S/c1-15(2,17)11-3-7-13(8-4-11)20(18,19)14-9-5-12(16)6-10-14/h3-10,17H,1-2H3
InChIKeyGJJPRKZKOUCTCG-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.40
Rot. Bonds3

About 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol

2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol (PubChem CID 130312635) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol
PubChem CID130312635
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO3S/c1-15(2,17)11-3-7-13(8-4-11)20(18,19)14-9-5-12(16)6-10-14/h3-10,17H,1-2H3
InChIKeyGJJPRKZKOUCTCG-UHFFFAOYSA-N
XLogP3.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol (CID 130312635) is 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol is CC(C)(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol?
The InChIKey is GJJPRKZKOUCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-15(2,17)11-3-7-13(8-4-11)20(18,19)14-9-5-12(16)6-10-14/h3-10,17H,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol?
2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol has a molecular weight of 310.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 130312635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).