1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol

C15H14Cl2O3S — CID 19901324

IUPAC1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2O3S/c1-15(18,11-5-3-2-4-6-11)10-21(19,20)14-8-7-12(16)9-13(14)17/h2-9,18H,10H2,1H3
InChIKeyGHBFZMNRHNENEB-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.67
Rot. Bonds4

About 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol

1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol (PubChem CID 19901324) has the molecular formula C15H14Cl2O3S and a molecular weight of 345.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol
PubChem CID19901324
Molecular FormulaC15H14Cl2O3S
Molecular Weight345.25 g/mol
Exact Mass344.00
IUPAC Name1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2O3S/c1-15(18,11-5-3-2-4-6-11)10-21(19,20)14-8-7-12(16)9-13(14)17/h2-9,18H,10H2,1H3
InChIKeyGHBFZMNRHNENEB-UHFFFAOYSA-N
XLogP3.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol (CID 19901324) is 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol?
The InChIKey is GHBFZMNRHNENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3S/c1-15(18,11-5-3-2-4-6-11)10-21(19,20)14-8-7-12(16)9-13(14)17/h2-9,18H,10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol?
1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol has a molecular weight of 345.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonyl-2-phenylpropan-2-ol is sourced from PubChem (CID 19901324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).