2-(4-bromo-3-methylphenoxy)ethanesulfonamide

C9H12BrNO3S — CID 83135088

IUPAC2-(4-bromo-3-methylphenoxy)ethanesulfonamide
SMILESCc1cc(OCCS(N)(=O)=O)ccc1Br
InChIInChI=1S/C9H12BrNO3S/c1-7-6-8(2-3-9(7)10)14-4-5-15(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13)
InChIKeyBYTOULDHJJTKNO-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)ethanesulfonamide

2-(4-bromo-3-methylphenoxy)ethanesulfonamide (PubChem CID 83135088) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)ethanesulfonamide
PubChem CID83135088
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name2-(4-bromo-3-methylphenoxy)ethanesulfonamide
SMILESCc1cc(OCCS(N)(=O)=O)ccc1Br
InChIInChI=1S/C9H12BrNO3S/c1-7-6-8(2-3-9(7)10)14-4-5-15(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13)
InChIKeyBYTOULDHJJTKNO-UHFFFAOYSA-N
XLogP1.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-methyl-4-(3-methylsulfonylpropoxy)benzene
CID 81301844
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338
1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
CID 83133442
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041
4-(4-bromo-3-methylphenoxy)butane-1-thiol
CID 83134310
3-[2-(4-bromo-3-methylphenoxy)ethoxy]aniline
CID 83133247
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
CID 65202554
N-[2-(4-bromo-3-methylphenoxy)ethyl]acetamide
CID 163375220
5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)ethanesulfonamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)ethanesulfonamide (CID 83135088) is 2-(4-bromo-3-methylphenoxy)ethanesulfonamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)ethanesulfonamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)ethanesulfonamide is Cc1cc(OCCS(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)ethanesulfonamide?
The InChIKey is BYTOULDHJJTKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-7-6-8(2-3-9(7)10)14-4-5-15(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-(4-bromo-3-methylphenoxy)ethanesulfonamide?
2-(4-bromo-3-methylphenoxy)ethanesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)ethanesulfonamide is sourced from PubChem (CID 83135088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).