4-bromo-2,5-dimethoxybenzenesulfonyl chloride

C8H8BrClO4S — CID 50876050

IUPAC4-bromo-2,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(OC)cc1Br
InChIInChI=1S/C8H8BrClO4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,1-2H3
InChIKeySECOFIXVDWSDJB-UHFFFAOYSA-N
MW315.57 g/mol
LogP2.39
Rot. Bonds3

About 4-bromo-2,5-dimethoxybenzenesulfonyl chloride

4-bromo-2,5-dimethoxybenzenesulfonyl chloride (PubChem CID 50876050) has the molecular formula C8H8BrClO4S and a molecular weight of 315.57 g/mol. Its IUPAC name is 4-bromo-2,5-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2,5-dimethoxybenzenesulfonyl chloride
PubChem CID50876050
Molecular FormulaC8H8BrClO4S
Molecular Weight315.57 g/mol
Exact Mass313.90
IUPAC Name4-bromo-2,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(OC)cc1Br
InChIInChI=1S/C8H8BrClO4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,1-2H3
InChIKeySECOFIXVDWSDJB-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
CID 566593
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
4-Bromo-3-methoxybenzene-1-sulfonamide
CID 47001060
4-Bromo-3-methoxybenzene-1-sulfonyl chloride
CID 50876026
3-Bromo-5-methoxybenzene-1-sulfonyl chloride
CID 51000084
2-Bromo-3-methoxybenzene-1-sulfonyl chloride
CID 83746917
1-(4-Bromo-2,5-dimethoxybenzenesulfonyl)piperidine
CID 1143554
4-Bromo-5-fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 71758216
4-Bromo-2-(methoxymethoxy)benzene-1-sulfonyl chloride
CID 131583774
2-(4-Bromobenzene-1-sulfonyl)-1,4-dimethoxybenzene
CID 1076681
4-bromo-N-(3-(dimethylamino)propyl)-2,5-dimethoxybenzenesulfonamide
CID 8721951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2,5-dimethoxybenzenesulfonyl chloride (CID 50876050) is 4-bromo-2,5-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2,5-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2,5-dimethoxybenzenesulfonyl chloride is COc1cc(S(=O)(=O)Cl)c(OC)cc1Br.
What is the InChIKey of 4-bromo-2,5-dimethoxybenzenesulfonyl chloride?
The InChIKey is SECOFIXVDWSDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,1-2H3.
What are the key properties of 4-bromo-2,5-dimethoxybenzenesulfonyl chloride?
4-bromo-2,5-dimethoxybenzenesulfonyl chloride has a molecular weight of 315.57 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 50876050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).