4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride

C7H5BrClFO3S — CID 71758216

IUPAC4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Br)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO3S/c1-13-6-2-4(8)5(10)3-7(6)14(9,11)12/h2-3H,1H3
InChIKeyNHUNHVWVWOIQFW-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.52
Rot. Bonds2

About 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride

4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 71758216) has the molecular formula C7H5BrClFO3S and a molecular weight of 303.54 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID71758216
Molecular FormulaC7H5BrClFO3S
Molecular Weight303.54 g/mol
Exact Mass301.88
IUPAC Name4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Br)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO3S/c1-13-6-2-4(8)5(10)3-7(6)14(9,11)12/h2-3H,1H3
InChIKeyNHUNHVWVWOIQFW-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride
CID 2736421
4-Bromo-2-(trifluoromethoxy)thiophenol
CID 2736425
2-Bromo-4-methoxybenzene-1-sulfonyl chloride
CID 17389861
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 46738066
4-Bromo-3-methoxybenzene-1-sulfonyl chloride
CID 50876026
5-Bromo-3-fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 50989184
3-Bromo-5-methoxybenzene-1-sulfonyl chloride
CID 51000084
4-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 55279249
4,5-Difluoro-2-methoxybenzene-1-sulfonyl chloride
CID 55279481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride (CID 71758216) is 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride is COc1cc(Br)c(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is NHUNHVWVWOIQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO3S/c1-13-6-2-4(8)5(10)3-7(6)14(9,11)12/h2-3H,1H3.
What are the key properties of 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride?
4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 303.54 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 71758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).