[4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol

C14H12Cl2O3S — CID 54544920

IUPAC[4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2O3S/c15-12-2-1-3-13(16)14(12)20(18,19)9-11-6-4-10(8-17)5-7-11/h1-7,17H,8-9H2
InChIKeyZFVQSTAKONHGNC-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.46
Rot. Bonds4

About [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol

[4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol (PubChem CID 54544920) has the molecular formula C14H12Cl2O3S and a molecular weight of 331.22 g/mol. Its IUPAC name is [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol
PubChem CID54544920
Molecular FormulaC14H12Cl2O3S
Molecular Weight331.22 g/mol
Exact Mass329.99
IUPAC Name[4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2O3S/c15-12-2-1-3-13(16)14(12)20(18,19)9-11-6-4-10(8-17)5-7-11/h1-7,17H,8-9H2
InChIKeyZFVQSTAKONHGNC-UHFFFAOYSA-N
XLogP3.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol (CID 54544920) is [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol is O=S(=O)(Cc1ccc(CO)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol?
The InChIKey is ZFVQSTAKONHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3S/c15-12-2-1-3-13(16)14(12)20(18,19)9-11-6-4-10(8-17)5-7-11/h1-7,17H,8-9H2.
What are the key properties of [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol?
[4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol has a molecular weight of 331.22 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dichlorophenyl)sulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 54544920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).