2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride

C13H8Cl2F2O3S — CID 103037941

IUPAC2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8Cl2F2O3S/c14-10-5-8(1-3-11(10)17)7-20-12-4-2-9(16)6-13(12)21(15,18)19/h1-6H,7H2
InChIKeyMPTXNONBLGWLIA-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.12
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride

2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (PubChem CID 103037941) has the molecular formula C13H8Cl2F2O3S and a molecular weight of 353.17 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
PubChem CID103037941
Molecular FormulaC13H8Cl2F2O3S
Molecular Weight353.17 g/mol
Exact Mass351.95
IUPAC Name2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8Cl2F2O3S/c14-10-5-8(1-3-11(10)17)7-20-12-4-2-9(16)6-13(12)21(15,18)19/h1-6H,7H2
InChIKeyMPTXNONBLGWLIA-UHFFFAOYSA-N
XLogP4.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 82911140
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 62103692
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82910183

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (CID 103037941) is 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The InChIKey is MPTXNONBLGWLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O3S/c14-10-5-8(1-3-11(10)17)7-20-12-4-2-9(16)6-13(12)21(15,18)19/h1-6H,7H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride has a molecular weight of 353.17 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 103037941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).