4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

C14H11BrClFO3S — CID 43095452

IUPAC4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C14H11BrClFO3S/c1-9-6-12(21(16,18)19)3-5-14(9)20-8-10-7-11(15)2-4-13(10)17/h2-7H,8H2,1H3
InChIKeyVQIRHGXDLPITBU-UHFFFAOYSA-N
MW393.66 g/mol
LogP4.40
Rot. Bonds4

About 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (PubChem CID 43095452) has the molecular formula C14H11BrClFO3S and a molecular weight of 393.66 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
PubChem CID43095452
Molecular FormulaC14H11BrClFO3S
Molecular Weight393.66 g/mol
Exact Mass391.93
IUPAC Name4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C14H11BrClFO3S/c1-9-6-12(21(16,18)19)3-5-14(9)20-8-10-7-11(15)2-4-13(10)17/h2-7H,8H2,1H3
InChIKeyVQIRHGXDLPITBU-UHFFFAOYSA-N
XLogP4.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 102855854
3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride
CID 105370580
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79168706
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005014
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (CID 43095452) is 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1OCc1cc(Br)ccc1F.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The InChIKey is VQIRHGXDLPITBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO3S/c1-9-6-12(21(16,18)19)3-5-14(9)20-8-10-7-11(15)2-4-13(10)17/h2-7H,8H2,1H3.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride has a molecular weight of 393.66 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43095452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).