3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide

C14H14BrNO4S — CID 63985144

IUPAC3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide
SMILESCOCc1cccc(Oc2ccc(S(N)(=O)=O)cc2Br)c1
InChIInChI=1S/C14H14BrNO4S/c1-19-9-10-3-2-4-11(7-10)20-14-6-5-12(8-13(14)15)21(16,17)18/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyKDLIRVQGPRRAPI-UHFFFAOYSA-N
MW372.24 g/mol
LogP3.04
Rot. Bonds5

About 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide

3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide (PubChem CID 63985144) has the molecular formula C14H14BrNO4S and a molecular weight of 372.24 g/mol. Its IUPAC name is 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide
PubChem CID63985144
Molecular FormulaC14H14BrNO4S
Molecular Weight372.24 g/mol
Exact Mass370.98
IUPAC Name3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide
SMILESCOCc1cccc(Oc2ccc(S(N)(=O)=O)cc2Br)c1
InChIInChI=1S/C14H14BrNO4S/c1-19-9-10-3-2-4-11(7-10)20-14-6-5-12(8-13(14)15)21(16,17)18/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyKDLIRVQGPRRAPI-UHFFFAOYSA-N
XLogP3.04
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
CID 114062642
3-bromo-4-[3-(methoxymethyl)phenoxy]benzonitrile
CID 82804116
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[3-(2-bromo-4-cyanophenoxy)phenyl]methyl acetate
CID 142469752
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
CID 64713841
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide (CID 63985144) is 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide is COCc1cccc(Oc2ccc(S(N)(=O)=O)cc2Br)c1.
What is the InChIKey of 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide?
The InChIKey is KDLIRVQGPRRAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S/c1-19-9-10-3-2-4-11(7-10)20-14-6-5-12(8-13(14)15)21(16,17)18/h2-8H,9H2,1H3,(H2,16,17,18).
What are the key properties of 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide?
3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide has a molecular weight of 372.24 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 63985144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).