5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride

C12H16BrClO3S — CID 82827249

IUPAC5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCOCc1ccccc1Br
InChIInChI=1S/C12H16BrClO3S/c13-12-7-3-2-6-11(12)10-17-8-4-1-5-9-18(14,15)16/h2-3,6-7H,1,4-5,8-10H2
InChIKeyMPIDVLHZTDUMGK-UHFFFAOYSA-N
MW355.68 g/mol
LogP3.70
Rot. Bonds8

About 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride

5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride (PubChem CID 82827249) has the molecular formula C12H16BrClO3S and a molecular weight of 355.68 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride
PubChem CID82827249
Molecular FormulaC12H16BrClO3S
Molecular Weight355.68 g/mol
Exact Mass353.97
IUPAC Name5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCOCc1ccccc1Br
InChIInChI=1S/C12H16BrClO3S/c13-12-7-3-2-6-11(12)10-17-8-4-1-5-9-18(14,15)16/h2-3,6-7H,1,4-5,8-10H2
InChIKeyMPIDVLHZTDUMGK-UHFFFAOYSA-N
XLogP3.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.68
LogP ≤ 53.70
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

6-[(2-bromophenyl)methoxy]hexane-1-sulfonyl chloride
CID 82826539
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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
2-[3-[(2-bromophenyl)methoxy]propoxy]benzonitrile
CID 82808257

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride?
The IUPAC name of 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride (CID 82827249) is 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride.
What is the SMILES notation for 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride?
The canonical SMILES for 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCOCc1ccccc1Br.
What is the InChIKey of 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride?
The InChIKey is MPIDVLHZTDUMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO3S/c13-12-7-3-2-6-11(12)10-17-8-4-1-5-9-18(14,15)16/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride?
5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride has a molecular weight of 355.68 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methoxy]pentane-1-sulfonyl chloride is sourced from PubChem (CID 82827249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).