5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride

C7H5BrClFO3S — CID 50989184

IUPAC5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO3S/c1-13-7-5(10)2-4(8)3-6(7)14(9,11)12/h2-3H,1H3
InChIKeyDAKVEQVUSUDIQL-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.52
Rot. Bonds2

About 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride

5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 50989184) has the molecular formula C7H5BrClFO3S and a molecular weight of 303.54 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID50989184
Molecular FormulaC7H5BrClFO3S
Molecular Weight303.54 g/mol
Exact Mass301.88
IUPAC Name5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO3S/c1-13-7-5(10)2-4(8)3-6(7)14(9,11)12/h2-3H,1H3
InChIKeyDAKVEQVUSUDIQL-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

Analyze 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2-ethoxybenzenesulfonamide
CID 2321418
5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
5-Bromo-2-ethoxybenzene-1-sulfonyl chloride
CID 3688333
4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride
CID 2736421
3-Bromo-4-methoxybenzene-1-sulfonyl chloride
CID 3863747
5-Bromo-2-methoxybenzenesulphonamide
CID 8317967
5-Bromo-2-methoxybenzenethiol
CID 11276017
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
2-Bromo-5-methoxybenzene-1-sulfonyl chloride
CID 18754992
5-Bromo-2-propoxybenzene-1-sulfonyl chloride
CID 45156417
3-Bromo-5-methoxybenzene-1-sulfonyl chloride
CID 51000084

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride (CID 50989184) is 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride is COc1c(F)cc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is DAKVEQVUSUDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO3S/c1-13-7-5(10)2-4(8)3-6(7)14(9,11)12/h2-3H,1H3.
What are the key properties of 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride?
5-bromo-3-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 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 50989184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).