3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride

C10H11BrClFO3S — CID 81326102

IUPAC3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride
SMILESCC(COc1cc(F)cc(Br)c1)CS(=O)(=O)Cl
InChIInChI=1S/C10H11BrClFO3S/c1-7(6-17(12,14)15)5-16-10-3-8(11)2-9(13)4-10/h2-4,7H,5-6H2,1H3
InChIKeyUIMJMPSUCKVAMN-UHFFFAOYSA-N
MW345.62 g/mol
LogP3.17
Rot. Bonds5

About 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride

3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride (PubChem CID 81326102) has the molecular formula C10H11BrClFO3S and a molecular weight of 345.62 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride
PubChem CID81326102
Molecular FormulaC10H11BrClFO3S
Molecular Weight345.62 g/mol
Exact Mass343.93
IUPAC Name3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride
SMILESCC(COc1cc(F)cc(Br)c1)CS(=O)(=O)Cl
InChIInChI=1S/C10H11BrClFO3S/c1-7(6-17(12,14)15)5-16-10-3-8(11)2-9(13)4-10/h2-4,7H,5-6H2,1H3
InChIKeyUIMJMPSUCKVAMN-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-nitrophenoxy)-2-methylpropane-1-sulfonyl chloride
CID 103589524
3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
CID 165492974
3-(4-bromo-3-methylphenoxy)-2-methylpropane-1-sulfonyl chloride
CID 83134690
2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride
CID 81325559
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropane-1-sulfonyl chloride
CID 102715052
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
2-[(3-bromophenoxy)methyl]-3-methylbutane-1-sulfonyl chloride
CID 65013232
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
2-[(5-bromo-2,3-difluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonyl chloride
CID 107102074
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
CID 80964753

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride (CID 81326102) is 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride is CC(COc1cc(F)cc(Br)c1)CS(=O)(=O)Cl.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride?
The InChIKey is UIMJMPSUCKVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO3S/c1-7(6-17(12,14)15)5-16-10-3-8(11)2-9(13)4-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride?
3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride has a molecular weight of 345.62 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 81326102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).