2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide

C9H12BrNO4S — CID 104708667

IUPAC2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
SMILESCOc1ccc(OCCS(N)(=O)=O)c(Br)c1
InChIInChI=1S/C9H12BrNO4S/c1-14-7-2-3-9(8(10)6-7)15-4-5-16(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13)
InChIKeyBVFAMQOTVJGLPW-UHFFFAOYSA-N
MW310.17 g/mol
LogP1.12
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide

2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide (PubChem CID 104708667) has the molecular formula C9H12BrNO4S and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
PubChem CID104708667
Molecular FormulaC9H12BrNO4S
Molecular Weight310.17 g/mol
Exact Mass308.97
IUPAC Name2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
SMILESCOc1ccc(OCCS(N)(=O)=O)c(Br)c1
InChIInChI=1S/C9H12BrNO4S/c1-14-7-2-3-9(8(10)6-7)15-4-5-16(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13)
InChIKeyBVFAMQOTVJGLPW-UHFFFAOYSA-N
XLogP1.12
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 104708673
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
CID 102703756
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide
CID 79403949
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
2-(bromomethyl)-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 61057805

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide (CID 104708667) is 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide is COc1ccc(OCCS(N)(=O)=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide?
The InChIKey is BVFAMQOTVJGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO4S/c1-14-7-2-3-9(8(10)6-7)15-4-5-16(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide?
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide has a molecular weight of 310.17 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide is sourced from PubChem (CID 104708667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).