3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide

C11H16BrNO3S — CID 107286864

IUPAC3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide
SMILESCc1ccc(Br)cc1OCC(C)CS(N)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-8(7-17(13,14)15)6-16-11-5-10(12)4-3-9(11)2/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyQSEIYOKJAQLBGS-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.06
Rot. Bonds5

About 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide

3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide (PubChem CID 107286864) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide
PubChem CID107286864
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide
SMILESCc1ccc(Br)cc1OCC(C)CS(N)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-8(7-17(13,14)15)6-16-11-5-10(12)4-3-9(11)2/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyQSEIYOKJAQLBGS-UHFFFAOYSA-N
XLogP2.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-2-(2-methylbutoxy)benzene
CID 107283947
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
4-bromo-2-[2-(bromomethyl)-3-methylbutoxy]-1-methylbenzene
CID 107283654
2-[(4-bromo-2-methylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015193
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012378
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
5-(5-bromo-2-methylphenoxy)-3-methylpentane-1-sulfonyl chloride
CID 107286842
3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
CID 82827251
2-[(4-bromo-2-fluorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65011633
4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide (CID 107286864) is 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide is Cc1ccc(Br)cc1OCC(C)CS(N)(=O)=O.
What is the InChIKey of 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide?
The InChIKey is QSEIYOKJAQLBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-8(7-17(13,14)15)6-16-11-5-10(12)4-3-9(11)2/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide?
3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenoxy)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 107286864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).