2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol

C13H8Cl2F2O3S — CID 153492351

IUPAC2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2F2O3S/c14-8-4-10(15)13(18)12(5-8)21(19,20)6-7-3-9(16)1-2-11(7)17/h1-5,18H,6H2
InChIKeyKPCAHMSSKAYYJJ-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.95
Rot. Bonds3

About 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol

2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol (PubChem CID 153492351) has the molecular formula C13H8Cl2F2O3S and a molecular weight of 353.17 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol
PubChem CID153492351
Molecular FormulaC13H8Cl2F2O3S
Molecular Weight353.17 g/mol
Exact Mass351.95
IUPAC Name2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2F2O3S/c14-8-4-10(15)13(18)12(5-8)21(19,20)6-7-3-9(16)1-2-11(7)17/h1-5,18H,6H2
InChIKeyKPCAHMSSKAYYJJ-UHFFFAOYSA-N
XLogP3.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol (CID 153492351) is 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol is O=S(=O)(Cc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol?
The InChIKey is KPCAHMSSKAYYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O3S/c14-8-4-10(15)13(18)12(5-8)21(19,20)6-7-3-9(16)1-2-11(7)17/h1-5,18H,6H2.
What are the key properties of 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol?
2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol has a molecular weight of 353.17 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol is sourced from PubChem (CID 153492351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).