(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol

C14H11BrClFO3S — CID 105399299

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C14H11BrClFO3S/c1-21(19,20)9-4-2-3-8(5-9)14(18)10-6-12(16)11(15)7-13(10)17/h2-7,14,18H,1H3
InChIKeyUTIOFCXKFMNAFS-UHFFFAOYSA-N
MW393.66 g/mol
LogP3.73
Rot. Bonds3

About (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol (PubChem CID 105399299) has the molecular formula C14H11BrClFO3S and a molecular weight of 393.66 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
PubChem CID105399299
Molecular FormulaC14H11BrClFO3S
Molecular Weight393.66 g/mol
Exact Mass391.93
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C14H11BrClFO3S/c1-21(19,20)9-4-2-3-8(5-9)14(18)10-6-12(16)11(15)7-13(10)17/h2-7,14,18H,1H3
InChIKeyUTIOFCXKFMNAFS-UHFFFAOYSA-N
XLogP3.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[bromo-(3-methylsulfonylphenyl)methyl]-2-chloro-5-fluorobenzene
CID 105399923
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61082000
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61101064
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(2-chloro-4,5-difluorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 107475895
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol (CID 105399299) is (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cccc(C(O)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol?
The InChIKey is UTIOFCXKFMNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO3S/c1-21(19,20)9-4-2-3-8(5-9)14(18)10-6-12(16)11(15)7-13(10)17/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol has a molecular weight of 393.66 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 105399299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).