2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol

C18H12ClFO3S — CID 67241305

IUPAC2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2cc(F)ccc2O)c(Cl)c1
InChIInChI=1S/C18H12ClFO3S/c19-17-11-14(24(22,23)13-4-2-1-3-5-13)7-8-15(17)16-10-12(20)6-9-18(16)21/h1-11,21H
InChIKeyQVZPHQHUJCRKTG-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.68
Rot. Bonds3

About 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol

2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol (PubChem CID 67241305) has the molecular formula C18H12ClFO3S and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol
PubChem CID67241305
Molecular FormulaC18H12ClFO3S
Molecular Weight362.81 g/mol
Exact Mass362.02
IUPAC Name2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2cc(F)ccc2O)c(Cl)c1
InChIInChI=1S/C18H12ClFO3S/c19-17-11-14(24(22,23)13-4-2-1-3-5-13)7-8-15(17)16-10-12(20)6-9-18(16)21/h1-11,21H
InChIKeyQVZPHQHUJCRKTG-UHFFFAOYSA-N
XLogP4.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol?
The IUPAC name of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol (CID 67241305) is 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol.
What is the SMILES notation for 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol?
The canonical SMILES for 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol is O=S(=O)(c1ccccc1)c1ccc(-c2cc(F)ccc2O)c(Cl)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol?
The InChIKey is QVZPHQHUJCRKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO3S/c19-17-11-14(24(22,23)13-4-2-1-3-5-13)7-8-15(17)16-10-12(20)6-9-18(16)21/h1-11,21H.
What are the key properties of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol?
2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol has a molecular weight of 362.81 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol is sourced from PubChem (CID 67241305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).