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

C18H19ClF2O3S — CID 23028783

IUPAC5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol
SMILESCC(CCCCO)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF2O3S/c1-18(10-2-3-11-22,16-12-14(20)6-9-17(16)21)25(23,24)15-7-4-13(19)5-8-15/h4-9,12,22H,2-3,10-11H2,1H3
InChIKeyZRWYZEPRXGACBR-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.47
Rot. Bonds7

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

5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol (PubChem CID 23028783) has the molecular formula C18H19ClF2O3S and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol
PubChem CID23028783
Molecular FormulaC18H19ClF2O3S
Molecular Weight388.86 g/mol
Exact Mass388.07
IUPAC Name5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol
SMILESCC(CCCCO)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF2O3S/c1-18(10-2-3-11-22,16-12-14(20)6-9-17(16)21)25(23,24)15-7-4-13(19)5-8-15/h4-9,12,22H,2-3,10-11H2,1H3
InChIKeyZRWYZEPRXGACBR-UHFFFAOYSA-N
XLogP4.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol (CID 23028783) is 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol is CC(CCCCO)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol?
The InChIKey is ZRWYZEPRXGACBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2O3S/c1-18(10-2-3-11-22,16-12-14(20)6-9-17(16)21)25(23,24)15-7-4-13(19)5-8-15/h4-9,12,22H,2-3,10-11H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol?
5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol has a molecular weight of 388.86 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol is sourced from PubChem (CID 23028783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).