3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol

C16H15ClF2O3S — CID 11152627

IUPAC3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2O3S/c1-10(9-20)16(14-8-12(18)4-7-15(14)19)23(21,22)13-5-2-11(17)3-6-13/h2-8,10,16,20H,9H2,1H3
InChIKeyGBDKABQMLPYTIM-UHFFFAOYSA-N
MW360.81 g/mol
LogP3.76
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol

3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol (PubChem CID 11152627) has the molecular formula C16H15ClF2O3S and a molecular weight of 360.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol
PubChem CID11152627
Molecular FormulaC16H15ClF2O3S
Molecular Weight360.81 g/mol
Exact Mass360.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2O3S/c1-10(9-20)16(14-8-12(18)4-7-15(14)19)23(21,22)13-5-2-11(17)3-6-13/h2-8,10,16,20H,9H2,1H3
InChIKeyGBDKABQMLPYTIM-UHFFFAOYSA-N
XLogP3.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol (CID 11152627) is 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol is CC(CO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol?
The InChIKey is GBDKABQMLPYTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O3S/c1-10(9-20)16(14-8-12(18)4-7-15(14)19)23(21,22)13-5-2-11(17)3-6-13/h2-8,10,16,20H,9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol?
3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol has a molecular weight of 360.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 11152627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).