6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride

C13H18BrClO3S — CID 82826539

IUPAC6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCCOCc1ccccc1Br
InChIInChI=1S/C13H18BrClO3S/c14-13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19(15,16)17/h3-4,7-8H,1-2,5-6,9-11H2
InChIKeyBRSZXBKHWFSVHF-UHFFFAOYSA-N
MW369.71 g/mol
LogP4.09
Rot. Bonds9

About 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride

6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride (PubChem CID 82826539) has the molecular formula C13H18BrClO3S and a molecular weight of 369.71 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride
PubChem CID82826539
Molecular FormulaC13H18BrClO3S
Molecular Weight369.71 g/mol
Exact Mass367.98
IUPAC Name6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCCOCc1ccccc1Br
InChIInChI=1S/C13H18BrClO3S/c14-13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19(15,16)17/h3-4,7-8H,1-2,5-6,9-11H2
InChIKeyBRSZXBKHWFSVHF-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride
CID 82827249
4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
CID 82825483
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide
CID 82827088
[1-[(2-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 82826839
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]methanamine
CID 82805144
5-[(3-bromophenyl)methoxy]pentane-1-sulfonamide
CID 82826620
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
1-bromo-2-[[(E)-4-chlorobut-2-enoxy]methyl]benzene
CID 82828251
3-[3-[(2-bromophenyl)methoxy]propoxy]aniline
CID 82827981

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride?
The IUPAC name of 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride (CID 82826539) is 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCCOCc1ccccc1Br.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride?
The InChIKey is BRSZXBKHWFSVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClO3S/c14-13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19(15,16)17/h3-4,7-8H,1-2,5-6,9-11H2.
What are the key properties of 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride?
6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride has a molecular weight of 369.71 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride is sourced from PubChem (CID 82826539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).