3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide

C10H13BrFNO3S — CID 83234776

IUPAC3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
SMILESCC(COc1ccc(F)c(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C10H13BrFNO3S/c1-7(6-17(13,14)15)5-16-8-2-3-10(12)9(11)4-8/h2-4,7H,5-6H2,1H3,(H2,13,14,15)
InChIKeyUUGCWVSCOWJLQT-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.89
Rot. Bonds5

About 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide

3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide (PubChem CID 83234776) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
PubChem CID83234776
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC Name3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
SMILESCC(COc1ccc(F)c(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C10H13BrFNO3S/c1-7(6-17(13,14)15)5-16-8-2-3-10(12)9(11)4-8/h2-4,7H,5-6H2,1H3,(H2,13,14,15)
InChIKeyUUGCWVSCOWJLQT-UHFFFAOYSA-N
XLogP1.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
5-(3-bromo-4-fluorophenoxy)-3-methylpentane-1-sulfonamide
CID 83234940
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropane-1-sulfonyl chloride
CID 102715052
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
CID 83232718
3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide
CID 107286864
3-(4-bromo-3-methylphenoxy)-2-methylpropane-1-sulfonyl chloride
CID 83134690
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
3-(3-bromo-4-fluorophenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 83233942
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
(3-bromo-4-fluorophenyl) 2-methylpropanoate
CID 14985061
3-(3-bromo-4-fluorophenoxy)propane-1-sulfonyl chloride
CID 83235024

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide (CID 83234776) is 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide is CC(COc1ccc(F)c(Br)c1)CS(N)(=O)=O.
What is the InChIKey of 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide?
The InChIKey is UUGCWVSCOWJLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-7(6-17(13,14)15)5-16-8-2-3-10(12)9(11)4-8/h2-4,7H,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide?
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide has a molecular weight of 326.19 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 83234776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).