2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride

C13H9Cl2FO3S — CID 62105721

IUPAC2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2FO3S/c14-10-3-1-2-9(6-10)8-19-12-5-4-11(16)7-13(12)20(15,17)18/h1-7H,8H2
InChIKeyWCTQGTBLSCZLEN-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.99
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride

2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (PubChem CID 62105721) has the molecular formula C13H9Cl2FO3S and a molecular weight of 335.18 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
PubChem CID62105721
Molecular FormulaC13H9Cl2FO3S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2FO3S/c14-10-3-1-2-9(6-10)8-19-12-5-4-11(16)7-13(12)20(15,17)18/h1-7H,8H2
InChIKeyWCTQGTBLSCZLEN-UHFFFAOYSA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonic acid
CID 155146123
4-(Benzyloxy)-3-fluorobenzene-1-sulfonyl chloride
CID 20114091
2-(Benzyloxy)benzene-1-sulfonyl chloride
CID 21962459
1-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 76310928
8-chloro-2-fluoro-6H-benzo[c][1,5]benzoxathiepine
CID 827163
6-Chloro-2H-1-benzopyran-3-sulfonyl chloride
CID 47003560
8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride
CID 47003568
6-Chloro-3,7-difluoro-2-phenyl-1,4lambda6-benzoxathiine 4,4-dioxide
CID 162410471
2-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride
CID 164674635
1-Chloro-3-[(4-fluorophenoxy)methyl]benzene
CID 60627881
4-[(3,5-Difluorobenzyl)oxy]benzenesulfonyl chloride
CID 17942480
4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride
CID 18179424

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (CID 62105721) is 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The InChIKey is WCTQGTBLSCZLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO3S/c14-10-3-1-2-9(6-10)8-19-12-5-4-11(16)7-13(12)20(15,17)18/h1-7H,8H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride has a molecular weight of 335.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 62105721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).