3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride

C14H11BrClFO3S — CID 105370580

IUPAC3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride
SMILESCc1ccc(F)cc1COc1ccc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C14H11BrClFO3S/c1-9-2-3-11(17)6-10(9)8-20-14-5-4-12(7-13(14)15)21(16,18)19/h2-7H,8H2,1H3
InChIKeyFAVVSTTYDKROKE-UHFFFAOYSA-N
MW393.66 g/mol
LogP4.40
Rot. Bonds4

About 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride

3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride (PubChem CID 105370580) has the molecular formula C14H11BrClFO3S and a molecular weight of 393.66 g/mol. Its IUPAC name is 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride
PubChem CID105370580
Molecular FormulaC14H11BrClFO3S
Molecular Weight393.66 g/mol
Exact Mass391.93
IUPAC Name3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride
SMILESCc1ccc(F)cc1COc1ccc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C14H11BrClFO3S/c1-9-2-3-11(17)6-10(9)8-20-14-5-4-12(7-13(14)15)21(16,18)19/h2-7H,8H2,1H3
InChIKeyFAVVSTTYDKROKE-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

4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 43095452
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 102855854
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
CID 104796585
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
3-bromo-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82909746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride (CID 105370580) is 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride is Cc1ccc(F)cc1COc1ccc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is FAVVSTTYDKROKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO3S/c1-9-2-3-11(17)6-10(9)8-20-14-5-4-12(7-13(14)15)21(16,18)19/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride?
3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl 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 3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 105370580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).