4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride

C14H12BrClO4S — CID 65324002

IUPAC4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
SMILESCOc1ccc(Br)c(COc2ccc(S(=O)(=O)Cl)cc2)c1
InChIInChI=1S/C14H12BrClO4S/c1-19-12-4-7-14(15)10(8-12)9-20-11-2-5-13(6-3-11)21(16,17)18/h2-8H,9H2,1H3
InChIKeyVBPRVGXMLRSNIG-UHFFFAOYSA-N
MW391.67 g/mol
LogP3.96
Rot. Bonds5

About 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride

4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride (PubChem CID 65324002) has the molecular formula C14H12BrClO4S and a molecular weight of 391.67 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
PubChem CID65324002
Molecular FormulaC14H12BrClO4S
Molecular Weight391.67 g/mol
Exact Mass389.93
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
SMILESCOc1ccc(Br)c(COc2ccc(S(=O)(=O)Cl)cc2)c1
InChIInChI=1S/C14H12BrClO4S/c1-19-12-4-7-14(15)10(8-12)9-20-11-2-5-13(6-3-11)21(16,17)18/h2-8H,9H2,1H3
InChIKeyVBPRVGXMLRSNIG-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
CID 134830670
1-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]-3-nitrobenzene
CID 81496186
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
1-bromo-4-methoxy-2-[(4-methylsulfonylphenyl)sulfanylmethyl]benzene
CID 65326390
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-chloroaniline
CID 65322559

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride (CID 65324002) is 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride is COc1ccc(Br)c(COc2ccc(S(=O)(=O)Cl)cc2)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is VBPRVGXMLRSNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO4S/c1-19-12-4-7-14(15)10(8-12)9-20-11-2-5-13(6-3-11)21(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride?
4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 391.67 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 65324002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).