5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

C14H11BrClFO3S — CID 63216968

IUPAC5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C14H11BrClFO3S/c1-9-5-11(15)7-13(21(16,18)19)14(9)20-8-10-3-2-4-12(17)6-10/h2-7H,8H2,1H3
InChIKeyQFEUEINGWYTJLX-UHFFFAOYSA-N
MW393.66 g/mol
LogP4.40
Rot. Bonds4

About 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (PubChem CID 63216968) has the molecular formula C14H11BrClFO3S and a molecular weight of 393.66 g/mol. Its IUPAC name is 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
PubChem CID63216968
Molecular FormulaC14H11BrClFO3S
Molecular Weight393.66 g/mol
Exact Mass391.93
IUPAC Name5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C14H11BrClFO3S/c1-9-5-11(15)7-13(21(16,18)19)14(9)20-8-10-3-2-4-12(17)6-10/h2-7H,8H2,1H3
InChIKeyQFEUEINGWYTJLX-UHFFFAOYSA-N
XLogP4.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl 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-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
CID 63216758
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 115961948
5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576
4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 43342485
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
5-bromo-3-methyl-2-octoxybenzenesulfonyl chloride
CID 63495664
2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 43111244
2-(3-amino-3-oxopropoxy)-5-bromo-3-methylbenzenesulfonyl chloride
CID 82921454
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (CID 63216968) is 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1cccc(F)c1.
What is the InChIKey of 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The InChIKey is QFEUEINGWYTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO3S/c1-9-5-11(15)7-13(21(16,18)19)14(9)20-8-10-3-2-4-12(17)6-10/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride has a molecular weight of 393.66 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 63216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).